N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide

C20H24N2O2 — CID 110882580

IUPACN-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O2/c23-15-16-8-7-13-22(14-16)20(24)21-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19,23H,7-8,13-15H2,(H,21,24)
InChIKeyFCVCNSCZYLWKMR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.19
Rot. Bonds4

About N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110882580) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110882580
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O2/c23-15-16-8-7-13-22(14-16)20(24)21-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19,23H,7-8,13-15H2,(H,21,24)
InChIKeyFCVCNSCZYLWKMR-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
CID 121105871
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110882580) is N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FCVCNSCZYLWKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-15-16-8-7-13-22(14-16)20(24)21-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19,23H,7-8,13-15H2,(H,21,24).
What are the key properties of N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide?
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110882580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).