N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide

C17H24N2O2 — CID 83046098

IUPACN-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O2/c1-3-7-16-10-4-5-11-19(16)17(21)18-15-9-6-8-14(12-15)13(2)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3,(H,18,21)
InChIKeyYHLNZFHHOGJXDJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.08
Rot. Bonds4

About N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide

N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide (PubChem CID 83046098) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
PubChem CID83046098
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O2/c1-3-7-16-10-4-5-11-19(16)17(21)18-15-9-6-8-14(12-15)13(2)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3,(H,18,21)
InChIKeyYHLNZFHHOGJXDJ-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide (CID 83046098) is N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide is CCCC1CCCCN1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide?
The InChIKey is YHLNZFHHOGJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-7-16-10-4-5-11-19(16)17(21)18-15-9-6-8-14(12-15)13(2)20/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide?
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide is sourced from PubChem (CID 83046098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).