1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide

C135H218N26O12 — CID 157251300

IUPAC1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN(C(=O)CCN1CCCCC1)C(C)C.CC(C)CN(C(=O)CN1CCCC1C)C(C)C.CC(C)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)CCCN2)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)C(C)C.CC(C)CN(C(=O)c1ccc2n[nH]nc2c1)C(C)C.CC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C.CC(C)CN(CC(=O)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C17H26N2O.C16H22N4O.C16H23NO3.C15H21N5O.C15H30N2O.C14H20N4O.C14H19N3O2.C14H29N3O.C14H28N2O/c1-12(2)11-19(13(3)4)17(20)15-7-8-16-14(10-15)6-5-9-18-16;1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20;1-11(2)10-17(12(3)4)16(18)13-5-6-14-15(9-13)20-8-7-19-14;1-10(2)9-20(11(3)4)15(21)13-7-5-12(6-8-13)14-16-18-19-17-14;1-13(2)12-17(14(3)4)15(18)8-11-16-9-6-5-7-10-16;1-9(2)8-18(10(3)4)14(19)11-5-6-12-13(7-11)16-17-15-12;1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12;1-12(2)10-17(13(3)4)11-14(18)16-8-6-15(5)7-9-16;1-11(2)9-16(12(3)4)14(17)10-15-8-6-7-13(15)5/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3;5-8,10-13H,9H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-8,10-11H,9H2,1-4H3,(H,16,17,18,19);13-14H,5-12H2,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,16,17);5-7,9-10H,8H2,1-4H3;12-13H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyAWJKQUBOKKJAPZ-UHFFFAOYSA-N
MW2397.40 g/mol
LogP23.10
Rot. Bonds42

About 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide

1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 157251300) has the molecular formula C135H218N26O12 and a molecular weight of 2397.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID157251300
Molecular FormulaC135H218N26O12
Molecular Weight2397.40 g/mol
Exact Mass2395.72
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN(C(=O)CCN1CCCCC1)C(C)C.CC(C)CN(C(=O)CN1CCCC1C)C(C)C.CC(C)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)CCCN2)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)C(C)C.CC(C)CN(C(=O)c1ccc2n[nH]nc2c1)C(C)C.CC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C.CC(C)CN(CC(=O)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C17H26N2O.C16H22N4O.C16H23NO3.C15H21N5O.C15H30N2O.C14H20N4O.C14H19N3O2.C14H29N3O.C14H28N2O/c1-12(2)11-19(13(3)4)17(20)15-7-8-16-14(10-15)6-5-9-18-16;1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20;1-11(2)10-17(12(3)4)16(18)13-5-6-14-15(9-13)20-8-7-19-14;1-10(2)9-20(11(3)4)15(21)13-7-5-12(6-8-13)14-16-18-19-17-14;1-13(2)12-17(14(3)4)15(18)8-11-16-9-6-5-7-10-16;1-9(2)8-18(10(3)4)14(19)11-5-6-12-13(7-11)16-17-15-12;1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12;1-12(2)10-17(13(3)4)11-14(18)16-8-6-15(5)7-9-16;1-11(2)9-16(12(3)4)14(17)10-15-8-6-7-13(15)5/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3;5-8,10-13H,9H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-8,10-11H,9H2,1-4H3,(H,16,17,18,19);13-14H,5-12H2,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,16,17);5-7,9-10H,8H2,1-4H3;12-13H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyAWJKQUBOKKJAPZ-UHFFFAOYSA-N
XLogP23.10
TPSA391.90 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.40
LogP ≤ 523.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

1-(2H-benzotriazol-5-yl)-2-methylpropan-1-one;1-(2,1,3-benzoxadiazol-5-yl)-2-methylpropan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(2-methylpyrrolidin-1-yl)butan-2-one;4-methyl-1-piperidin-1-ylpentan-3-one;2-methyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one;2-methyl-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-one;2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 161361758
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;2-methoxy-7-(4-propan-2-yl-2-pyridinyl)quinoline;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;1-methyl-7-(4-propan-2-yl-2-pyridinyl)quinolin-2-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-2,6-naphthyridin-1-one;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one
CID 161594843
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 162287505
4a,5,6,7,8,8a-hexahydro-1,4-benzodioxin-6-yl-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1,2,5-oxadiazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 162287506

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide (CID 157251300) is 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide is CC(C)CN(C(=O)CCN1CCCCC1)C(C)C.CC(C)CN(C(=O)CN1CCCC1C)C(C)C.CC(C)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)CCCN2)C(C)C.CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)C(C)C.CC(C)CN(C(=O)c1ccc2n[nH]nc2c1)C(C)C.CC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C.CC(C)CN(CC(=O)N1CCN(C)CC1)C(C)C.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is AWJKQUBOKKJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C16H22N4O.C16H23NO3.C15H21N5O.C15H30N2O.C14H20N4O.C14H19N3O2.C14H29N3O.C14H28N2O/c1-12(2)11-19(13(3)4)17(20)15-7-8-16-14(10-15)6-5-9-18-16;1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20;1-11(2)10-17(12(3)4)16(18)13-5-6-14-15(9-13)20-8-7-19-14;1-10(2)9-20(11(3)4)15(21)13-7-5-12(6-8-13)14-16-18-19-17-14;1-13(2)12-17(14(3)4)15(18)8-11-16-9-6-5-7-10-16;1-9(2)8-18(10(3)4)14(19)11-5-6-12-13(7-11)16-17-15-12;1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12;1-12(2)10-17(13(3)4)11-14(18)16-8-6-15(5)7-9-16;1-11(2)9-16(12(3)4)14(17)10-15-8-6-7-13(15)5/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3;5-8,10-13H,9H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-8,10-11H,9H2,1-4H3,(H,16,17,18,19);13-14H,5-12H2,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,16,17);5-7,9-10H,8H2,1-4H3;12-13H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 2397.40 g/mol, XLogP of 23.10, 42 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone;N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylacetamide;N-(2-methylpropyl)-3-piperidin-1-yl-N-propan-2-ylpropanamide;N-(2-methylpropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide;N-(2-methylpropyl)-N-propan-2-yl-4-(2H-tetrazol-5-yl)benzamide;N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 157251300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).