3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide

C16H24N2O2 — CID 84529064

IUPAC3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20)
InChIKeyFGOHPWLIZXGQDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.05
Rot. Bonds3

About 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 84529064) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID84529064
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20)
InChIKeyFGOHPWLIZXGQDD-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide (CID 84529064) is 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is FGOHPWLIZXGQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)14-7-3-4-8-15(14)17-16(20)18-9-5-6-13(10-18)11-19/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 84529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).