3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide

C21H26N2O2 — CID 110882604

IUPAC3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCCC(CO)C2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16-9-11-19(12-10-16)20(18-7-3-2-4-8-18)22-21(25)23-13-5-6-17(14-23)15-24/h2-4,7-12,17,20,24H,5-6,13-15H2,1H3,(H,22,25)
InChIKeyXHNPVPFWFUGNTI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds4

About 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide (PubChem CID 110882604) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
PubChem CID110882604
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCCC(CO)C2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16-9-11-19(12-10-16)20(18-7-3-2-4-8-18)22-21(25)23-13-5-6-17(14-23)15-24/h2-4,7-12,17,20,24H,5-6,13-15H2,1H3,(H,22,25)
InChIKeyXHNPVPFWFUGNTI-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
CID 121105871
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
2-cyclohexyl-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110633226
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide (CID 110882604) is 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide is Cc1ccc(C(NC(=O)N2CCCC(CO)C2)c2ccccc2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide?
The InChIKey is XHNPVPFWFUGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-11-19(12-10-16)20(18-7-3-2-4-8-18)22-21(25)23-13-5-6-17(14-23)15-24/h2-4,7-12,17,20,24H,5-6,13-15H2,1H3,(H,22,25).
What are the key properties of 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 110882604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).