(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide

C24H28ClN3O2S — CID 95154867

IUPAC(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCSCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O2S/c25-21-7-5-19(6-8-21)24(30)28-11-1-2-20(17-28)23(29)26-22-9-3-18(4-10-22)16-27-12-14-31-15-13-27/h3-10,20H,1-2,11-17H2,(H,26,29)/t20-/m0/s1
InChIKeyJDRAQBOXNOXXOE-FQEVSTJZSA-N
MW458.03 g/mol
LogP4.38
Rot. Bonds5

About (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 95154867) has the molecular formula C24H28ClN3O2S and a molecular weight of 458.03 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID95154867
Molecular FormulaC24H28ClN3O2S
Molecular Weight458.03 g/mol
Exact Mass457.16
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCSCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O2S/c25-21-7-5-19(6-8-21)24(30)28-11-1-2-20(17-28)23(29)26-22-9-3-18(4-10-22)16-27-12-14-31-15-13-27/h3-10,20H,1-2,11-17H2,(H,26,29)/t20-/m0/s1
InChIKeyJDRAQBOXNOXXOE-FQEVSTJZSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.03
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-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-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-1-(4-chlorobenzoyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 41134061
N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide (CID 95154867) is (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(CN2CCSCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is JDRAQBOXNOXXOE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28ClN3O2S/c25-21-7-5-19(6-8-21)24(30)28-11-1-2-20(17-28)23(29)26-22-9-3-18(4-10-22)16-27-12-14-31-15-13-27/h3-10,20H,1-2,11-17H2,(H,26,29)/t20-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 458.03 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 95154867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).