N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide

C99H191F3N16O13 — CID 158217093

IUPACN-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(=O)NC1(COCCN2CCOCC2)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(CO)CCN(C(C)C)CC1.CC(C)CC(=O)NC1CCN(C(C)C)CC1N.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)N1CCC(C)(NC(=O)C2(C)CCC2)CC1.CC(C)N1CCC(C)(NC(=O)C2(O)CC2)CC1.CC(C)N1CCC(NC(=O)CCC(F)(F)F)C(O)C1
InChIInChI=1S/C19H37N3O3.C15H28N2O.C14H28N2O2.C13H27N3O.C13H24N2O2.C13H26N2O2.C12H21F3N2O2/c1-16(2)18(23)20-19(5-7-22(8-6-19)17(3)4)15-25-14-11-21-9-12-24-13-10-21;1-12(2)17-10-8-15(4,9-11-17)16-13(18)14(3)6-5-7-14;1-11(2)9-13(18)15-14(10-17)5-7-16(8-6-14)12(3)4;1-9(2)7-13(17)15-12-5-6-16(10(3)4)8-11(12)14;1-10(2)15-8-6-12(3,7-9-15)14-11(16)13(17)4-5-13;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)17-6-4-9(10(18)7-17)16-11(19)3-5-12(13,14)15/h16-17H,5-15H2,1-4H3,(H,20,23);12H,5-11H2,1-4H3,(H,16,18);11-12,17H,5-10H2,1-4H3,(H,15,18);9-12H,5-8,14H2,1-4H3,(H,15,17);10,17H,4-9H2,1-3H3,(H,14,16);9-12,16H,5-8H2,1-4H3,(H,14,17);8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyGCUDUONPUUBGBI-UHFFFAOYSA-N
MW1870.71 g/mol
LogP9.42
Rot. Bonds31

About N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide

N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 158217093) has the molecular formula C99H191F3N16O13 and a molecular weight of 1870.71 g/mol. Its IUPAC name is N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID158217093
Molecular FormulaC99H191F3N16O13
Molecular Weight1870.71 g/mol
Exact Mass1869.47
IUPAC NameN-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(=O)NC1(COCCN2CCOCC2)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(CO)CCN(C(C)C)CC1.CC(C)CC(=O)NC1CCN(C(C)C)CC1N.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)N1CCC(C)(NC(=O)C2(C)CCC2)CC1.CC(C)N1CCC(C)(NC(=O)C2(O)CC2)CC1.CC(C)N1CCC(NC(=O)CCC(F)(F)F)C(O)C1
InChIInChI=1S/C19H37N3O3.C15H28N2O.C14H28N2O2.C13H27N3O.C13H24N2O2.C13H26N2O2.C12H21F3N2O2/c1-16(2)18(23)20-19(5-7-22(8-6-19)17(3)4)15-25-14-11-21-9-12-24-13-10-21;1-12(2)17-10-8-15(4,9-11-17)16-13(18)14(3)6-5-7-14;1-11(2)9-13(18)15-14(10-17)5-7-16(8-6-14)12(3)4;1-9(2)7-13(17)15-12-5-6-16(10(3)4)8-11(12)14;1-10(2)15-8-6-12(3,7-9-15)14-11(16)13(17)4-5-13;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)17-6-4-9(10(18)7-17)16-11(19)3-5-12(13,14)15/h16-17H,5-15H2,1-4H3,(H,20,23);12H,5-11H2,1-4H3,(H,16,18);11-12,17H,5-10H2,1-4H3,(H,15,18);9-12H,5-8,14H2,1-4H3,(H,15,17);10,17H,4-9H2,1-3H3,(H,14,16);9-12,16H,5-8H2,1-4H3,(H,14,17);8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyGCUDUONPUUBGBI-UHFFFAOYSA-N
XLogP9.42
TPSA355.02 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.71
LogP ≤ 59.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide with MolForge

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Related Compounds

bis(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 157342086
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;propan-2-yl N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 157722953
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-(dimethylamino)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 159040820
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
CID 159732931
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 160175777
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
CID 160365827
3-hydroxy-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;3-hydroxy-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;3-methoxy-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;1-methoxy-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]cyclopropane-1-carboxamide;N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
CID 160721733
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 161005109
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;3-hydroxy-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;3-methoxy-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;1-methoxy-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]cyclopropane-1-carboxamide;4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
CID 161993679
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
CID 162150081
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 162205605
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 167585094

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide (CID 158217093) is N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)C(=O)NC1(COCCN2CCOCC2)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(CO)CCN(C(C)C)CC1.CC(C)CC(=O)NC1CCN(C(C)C)CC1N.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)N1CCC(C)(NC(=O)C2(C)CCC2)CC1.CC(C)N1CCC(C)(NC(=O)C2(O)CC2)CC1.CC(C)N1CCC(NC(=O)CCC(F)(F)F)C(O)C1.
What is the InChIKey of N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is GCUDUONPUUBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3.C15H28N2O.C14H28N2O2.C13H27N3O.C13H24N2O2.C13H26N2O2.C12H21F3N2O2/c1-16(2)18(23)20-19(5-7-22(8-6-19)17(3)4)15-25-14-11-21-9-12-24-13-10-21;1-12(2)17-10-8-15(4,9-11-17)16-13(18)14(3)6-5-7-14;1-11(2)9-13(18)15-14(10-17)5-7-16(8-6-14)12(3)4;1-9(2)7-13(17)15-12-5-6-16(10(3)4)8-11(12)14;1-10(2)15-8-6-12(3,7-9-15)14-11(16)13(17)4-5-13;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)17-6-4-9(10(18)7-17)16-11(19)3-5-12(13,14)15/h16-17H,5-15H2,1-4H3,(H,20,23);12H,5-11H2,1-4H3,(H,16,18);11-12,17H,5-10H2,1-4H3,(H,15,18);9-12H,5-8,14H2,1-4H3,(H,15,17);10,17H,4-9H2,1-3H3,(H,14,16);9-12,16H,5-8H2,1-4H3,(H,14,17);8-10,18H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide?
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 1870.71 g/mol, XLogP of 9.42, 31 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 158217093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).