N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

C16H22N2O3 — CID 62356436

IUPACN-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(20)14-4-6-15(7-5-14)17-16(21)18-9-2-3-13(11-18)8-10-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21)
InChIKeyNPZYWNJWCQTWAQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.52
Rot. Bonds4

About N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 62356436) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID62356436
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(20)14-4-6-15(7-5-14)17-16(21)18-9-2-3-13(11-18)8-10-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21)
InChIKeyNPZYWNJWCQTWAQ-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
CID 97340797
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (CID 62356436) is N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is NPZYWNJWCQTWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(20)14-4-6-15(7-5-14)17-16(21)18-9-2-3-13(11-18)8-10-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21).
What are the key properties of N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 62356436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).