N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C15H21ClN2O2S — CID 71875420

IUPACN-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCSCc1cc(NC(=O)N2CCC(CO)CC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-21-10-12-8-13(2-3-14(12)16)17-15(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyFUCAAWGSIHNPAS-UHFFFAOYSA-N
MW328.87 g/mol
LogP3.44
Rot. Bonds4

About N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71875420) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71875420
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC NameN-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCSCc1cc(NC(=O)N2CCC(CO)CC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-21-10-12-8-13(2-3-14(12)16)17-15(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9-10H2,1H3,(H,17,20)
InChIKeyFUCAAWGSIHNPAS-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-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

(3R)-N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856427
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71991884
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
CID 111840825
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
N-(3-cyano-4-methylphenyl)-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72853430
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 71875420) is N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CSCc1cc(NC(=O)N2CCC(CO)CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FUCAAWGSIHNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-21-10-12-8-13(2-3-14(12)16)17-15(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9-10H2,1H3,(H,17,20).
What are the key properties of N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 328.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylsulfanylmethyl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71875420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).