N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide

C17H22N2O3 — CID 113007816

IUPACN-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)19-9-7-13(8-10-19)17(22)18-15-6-4-5-14(11-15)12(2)20/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,22)
InChIKeyIEENDZAZFSJWPH-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.48
Rot. Bonds4

About N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide

N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide (PubChem CID 113007816) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
PubChem CID113007816
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)19-9-7-13(8-10-19)17(22)18-15-6-4-5-14(11-15)12(2)20/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,22)
InChIKeyIEENDZAZFSJWPH-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
methyl 3-[[1-[2-(4-methylphenyl)acetyl]piperidine-4-carbonyl]amino]benzoate
CID 113007991
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide (CID 113007816) is N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide?
The InChIKey is IEENDZAZFSJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-16(21)19-9-7-13(8-10-19)17(22)18-15-6-4-5-14(11-15)12(2)20/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113007816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).