1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide

C210H384ClF4N21O14S3 — CID 161323590

IUPAC1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide
SMILESC=C(CCC(C)C)N1CCS(=O)CC1.CC(=O)N1CCN(C(=O)CCC(C)C)CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC(=O)N1CC(C)NC(C)C1.CC(C)CCC(=O)N1CCCC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCNC(=O)C1.CC(C)CCC(=O)N1CCNCC1.CC(C)CCC(=O)N1CCS(=O)(=O)CC1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1=O.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCSCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.Cc1ccc(CCC(C)C)cn1
InChIInChI=1S/C13H26N2O.C12H22N2O2.C12H24N2O.C11H15Cl.C11H14F3N.C11H15F.C11H21NOS.C11H17N.C11H22.C11H16.C10H18N2O2.C10H20N2O.C10H22N2.C10H19NO3S.2C10H19NO.C10H20.C9H19NS.C9H19N.C8H17NO/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)4-5-12(16)14-8-6-13(7-9-14)11(3)15;1-9(2)5-6-12(15)14-7-10(3)13-11(4)8-14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-9(2)4-6-11-7-5-10(3)12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-10(14)12-6-5-11-9(13)7-12;1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10(12)11-5-7-15(13,14)8-6-11;1-9(2)5-6-10(12)11-7-3-4-8-11;1-9(2)6-8-11-7-4-3-5-10(11)12;1-9(2)7-8-10-5-3-4-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-7(2)5-6-8(10)9(3)4/h11-12H,5-10H2,1-4H3;10H,4-9H2,1-3H3;9-11,13H,5-8H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;10H,3-9H2,1-2H3;5,7-9H,4,6H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);9,11H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;7H,5-6H2,1-4H3
InChIKeyVKLXKKMNEYPFMB-UHFFFAOYSA-N
MW3635.16 g/mol
LogP44.63
Rot. Bonds62

About 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide

1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide (PubChem CID 161323590) has the molecular formula C210H384ClF4N21O14S3 and a molecular weight of 3635.16 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide
PubChem CID161323590
Molecular FormulaC210H384ClF4N21O14S3
Molecular Weight3635.16 g/mol
Exact Mass3631.88
IUPAC Name1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide
SMILESC=C(CCC(C)C)N1CCS(=O)CC1.CC(=O)N1CCN(C(=O)CCC(C)C)CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC(=O)N1CC(C)NC(C)C1.CC(C)CCC(=O)N1CCCC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCNC(=O)C1.CC(C)CCC(=O)N1CCNCC1.CC(C)CCC(=O)N1CCS(=O)(=O)CC1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1=O.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCSCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.Cc1ccc(CCC(C)C)cn1
InChIInChI=1S/C13H26N2O.C12H22N2O2.C12H24N2O.C11H15Cl.C11H14F3N.C11H15F.C11H21NOS.C11H17N.C11H22.C11H16.C10H18N2O2.C10H20N2O.C10H22N2.C10H19NO3S.2C10H19NO.C10H20.C9H19NS.C9H19N.C8H17NO/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)4-5-12(16)14-8-6-13(7-9-14)11(3)15;1-9(2)5-6-12(15)14-7-10(3)13-11(4)8-14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-9(2)4-6-11-7-5-10(3)12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-10(14)12-6-5-11-9(13)7-12;1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10(12)11-5-7-15(13,14)8-6-11;1-9(2)5-6-10(12)11-7-3-4-8-11;1-9(2)6-8-11-7-4-3-5-10(11)12;1-9(2)7-8-10-5-3-4-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-7(2)5-6-8(10)9(3)4/h11-12H,5-10H2,1-4H3;10H,4-9H2,1-3H3;9-11,13H,5-8H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;10H,3-9H2,1-2H3;5,7-9H,4,6H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);9,11H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;7H,5-6H2,1-4H3
InChIKeyVKLXKKMNEYPFMB-UHFFFAOYSA-N
XLogP44.63
TPSA352.69 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds62
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003635.16
LogP ≤ 544.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide with MolForge

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Related Compounds

2,8-dimethylnonan-4-one;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;ethane;2-methylheptan-4-one;4-(5-methylhex-1-en-2-yl)morpholine;1-(5-methylhex-1-en-2-yl)piperazine;1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone;1-(5-methylhex-1-en-2-yl)piperidine;1-(5-methylhex-1-en-2-yl)-4-propan-2-ylpiperazine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;4-(5-methylhex-1-en-2-yl)thiomorpholine;4-methyl-1-(5-methylhex-1-en-2-yl)piperidine;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;propan-2-yl 3-methylbutanoate
CID 160644091
(3S,6S,9R)-6-benzyl-3-[(1R)-1-hydroxyethyl]-13-[4-(2-oxopiperidin-1-yl)butanoyl]-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone
CID 131890803
3,5-dimethyl-1-propan-2-ylpiperazine;bis(2,2-dimethyl-1-propan-2-ylpiperidine);2,6-dimethyl-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;tris(1,4-di(propan-2-yl)piperazine);bis(2-methylidene-1-propan-2-ylpiperidine);bis(1-methyl-4-propan-2-ylpiperazine);2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;tris(3-methyl-1-propan-2-ylpiperidine);4-propan-2-ylpiperazin-2-one;bis(1-(4-propan-2-ylpiperazin-1-yl)ethanone);1-propan-2-ylpiperidine-4-carboxylic acid;bis(4-propan-2-yl-1,4-thiazinane 1-oxide)
CID 161228961
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
8-acetyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 131898592
cyclohexylmethanol;2-cyclopentylethanol;cyclopentylmethanol;cyclopropylmethanol;2-(dimethylamino)ethanol;2-ethoxyethanol;2-hydroxyacetic acid;2-hydroxy-N,N-dimethylacetamide;1-(2-hydroxyethyl)pyrrolidin-2-one;2-methoxyethanol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperidin-2-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;2-morpholin-4-ylethanol;oxan-4-ol;oxan-4-ylmethanol;oxolan-3-ol;oxolan-2-ylmethanol;oxolan-3-ylmethanol;2-phenylethanol;2-piperidin-1-ylethanol;2-propan-2-yloxyethanol;2-prop-2-enoxyethanol;2-pyridin-2-ylethanol;2-pyridin-3-ylethanol;2-pyridin-4-ylethanol;2-pyrrolidin-1-ylethanol;2-(1,3-thiazol-2-yl)ethanol;2-thiomorpholin-4-ylethanol;2-(2,2,2-trifluoroethoxy)ethanol
CID 158584720
(4S,18S)-18-benzyl-14-[3-(2-oxopiperidin-1-yl)propanoyl]-4-propan-2-yl-6,20-dithia-3,10,14,17,22,23-hexazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,16-trione
CID 138383787
1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672
1-[5-(2-cyclopentylacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26227545
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597
(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[3-(2-oxopiperidin-1-yl)propanoyl]-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone
CID 135095161
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide (CID 161323590) is 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide is C=C(CCC(C)C)N1CCS(=O)CC1.CC(=O)N1CCN(C(=O)CCC(C)C)CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC(=O)N1CC(C)NC(C)C1.CC(C)CCC(=O)N1CCCC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCNC(=O)C1.CC(C)CCC(=O)N1CCNCC1.CC(C)CCC(=O)N1CCS(=O)(=O)CC1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1=O.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCSCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.Cc1ccc(CCC(C)C)cn1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide?
The InChIKey is VKLXKKMNEYPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C12H22N2O2.C12H24N2O.C11H15Cl.C11H14F3N.C11H15F.C11H21NOS.C11H17N.C11H22.C11H16.C10H18N2O2.C10H20N2O.C10H22N2.C10H19NO3S.2C10H19NO.C10H20.C9H19NS.C9H19N.C8H17NO/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)4-5-12(16)14-8-6-13(7-9-14)11(3)15;1-9(2)5-6-12(15)14-7-10(3)13-11(4)8-14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-9(2)4-6-11-7-5-10(3)12-8-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-10(14)12-6-5-11-9(13)7-12;1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10(12)11-5-7-15(13,14)8-6-11;1-9(2)5-6-10(12)11-7-3-4-8-11;1-9(2)6-8-11-7-4-3-5-10(11)12;1-9(2)7-8-10-5-3-4-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10;1-7(2)5-6-8(10)9(3)4/h11-12H,5-10H2,1-4H3;10H,4-9H2,1-3H3;9-11,13H,5-8H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;10H,3-9H2,1-2H3;5,7-9H,4,6H2,1-3H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);9,11H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;7H,5-6H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide?
1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide has a molecular weight of 3635.16 g/mol, XLogP of 44.63, 62 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide is sourced from PubChem (CID 161323590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).