1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide

C30H40ClN3O4S — CID 139989161

IUPAC1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C30H40ClN3O4S/c1-22-5-9-27(10-6-22)39(37,38)28-13-17-32(18-14-28)15-4-16-34(26-8-7-23(2)29(31)21-26)30(36)25-11-19-33(20-12-25)24(3)35/h5-10,21,25,28H,4,11-20H2,1-3H3
InChIKeyNHXIAGXTRJWEOV-UHFFFAOYSA-N
MW574.19 g/mol
LogP4.88
Rot. Bonds8

About 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide

1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 139989161) has the molecular formula C30H40ClN3O4S and a molecular weight of 574.19 g/mol. Its IUPAC name is 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID139989161
Molecular FormulaC30H40ClN3O4S
Molecular Weight574.19 g/mol
Exact Mass573.24
IUPAC Name1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C30H40ClN3O4S/c1-22-5-9-27(10-6-22)39(37,38)28-13-17-32(18-14-28)15-4-16-34(26-8-7-23(2)29(31)21-26)30(36)25-11-19-33(20-12-25)24(3)35/h5-10,21,25,28H,4,11-20H2,1-3H3
InChIKeyNHXIAGXTRJWEOV-UHFFFAOYSA-N
XLogP4.88
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[4-(propan-2-ylamino)phenyl]sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 139989027
(E)-3-[4-[1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloro-4-methylanilino)propyl]piperidin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 139989200
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[4-(N-ethoxy-C-methylcarbonimidoyl)phenyl]sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 139989201
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4,6-trimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91021281
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide;dihydrochloride
CID 154701628
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2-chloro-4-methylsulfonylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91376322
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
CID 139898814
N-[3-[(3aR,6aS)-5-(2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 58782534
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[[(4-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 70695892
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4,6-trifluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 90752169
1-[4-[1-[N-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3-chloro-4-methylanilino]ethenyl]piperidin-1-yl]ethanone
CID 89340811
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2-methylsulfonylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 90887857

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 139989161) is 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is NHXIAGXTRJWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN3O4S/c1-22-5-9-27(10-6-22)39(37,38)28-13-17-32(18-14-28)15-4-16-34(26-8-7-23(2)29(31)21-26)30(36)25-11-19-33(20-12-25)24(3)35/h5-10,21,25,28H,4,11-20H2,1-3H3.
What are the key properties of 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 574.19 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 139989161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).