(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide

C20H24N2O2 — CID 125168729

IUPAC(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-2-3-8-19(15)16-9-11-17(12-10-16)21-20(24)22-13-5-4-7-18(22)14-23/h2-3,6,8-12,18,23H,4-5,7,13-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeySQLQYLYLRAZJBS-SFHVURJKSA-N
MW324.42 g/mol
LogP4.04
Rot. Bonds3

About (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide (PubChem CID 125168729) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
PubChem CID125168729
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-2-3-8-19(15)16-9-11-17(12-10-16)21-20(24)22-13-5-4-7-18(22)14-23/h2-3,6,8-12,18,23H,4-5,7,13-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeySQLQYLYLRAZJBS-SFHVURJKSA-N
XLogP4.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]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

N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909635
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide (CID 125168729) is (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide is Cc1ccccc1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide?
The InChIKey is SQLQYLYLRAZJBS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-2-3-8-19(15)16-9-11-17(12-10-16)21-20(24)22-13-5-4-7-18(22)14-23/h2-3,6,8-12,18,23H,4-5,7,13-14H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 125168729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).