N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide

C15H20N2O3 — CID 61346659

IUPACN-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)12-5-4-6-13(9-12)16-15(20)17-8-3-2-7-14(17)10-18/h4-6,9,14,18H,2-3,7-8,10H2,1H3,(H,16,20)
InChIKeyJGVYWNRYZIUISV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds3

About N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide

N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 61346659) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID61346659
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)12-5-4-6-13(9-12)16-15(20)17-8-3-2-7-14(17)10-18/h4-6,9,14,18H,2-3,7-8,10H2,1H3,(H,16,20)
InChIKeyJGVYWNRYZIUISV-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 125177307
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 72902474

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide (CID 61346659) is N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCCCC2CO)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is JGVYWNRYZIUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(19)12-5-4-6-13(9-12)16-15(20)17-8-3-2-7-14(17)10-18/h4-6,9,14,18H,2-3,7-8,10H2,1H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide?
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 61346659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).