1-(3-acetylphenyl)piperidine-3-carbonitrile

C14H16N2O — CID 117008107

IUPAC1-(3-acetylphenyl)piperidine-3-carbonitrile
SMILESCC(=O)c1cccc(N2CCCC(C#N)C2)c1
InChIInChI=1S/C14H16N2O/c1-11(17)13-5-2-6-14(8-13)16-7-3-4-12(9-15)10-16/h2,5-6,8,12H,3-4,7,10H2,1H3
InChIKeyMUQCPBRYMWLQSS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.63
Rot. Bonds2

About 1-(3-acetylphenyl)piperidine-3-carbonitrile

1-(3-acetylphenyl)piperidine-3-carbonitrile (PubChem CID 117008107) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3-acetylphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-acetylphenyl)piperidine-3-carbonitrile
PubChem CID117008107
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(3-acetylphenyl)piperidine-3-carbonitrile
SMILESCC(=O)c1cccc(N2CCCC(C#N)C2)c1
InChIInChI=1S/C14H16N2O/c1-11(17)13-5-2-6-14(8-13)16-7-3-4-12(9-15)10-16/h2,5-6,8,12H,3-4,7,10H2,1H3
InChIKeyMUQCPBRYMWLQSS-UHFFFAOYSA-N
XLogP2.63
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
1-[1-(3-methylphenyl)piperidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005823
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
CID 144853416
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457
1-(4-chlorophenyl)piperidine-3-carbonitrile
CID 117008082
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793807

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(3-acetylphenyl)piperidine-3-carbonitrile (CID 117008107) is 1-(3-acetylphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(3-acetylphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(3-acetylphenyl)piperidine-3-carbonitrile is CC(=O)c1cccc(N2CCCC(C#N)C2)c1.
What is the InChIKey of 1-(3-acetylphenyl)piperidine-3-carbonitrile?
The InChIKey is MUQCPBRYMWLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(17)13-5-2-6-14(8-13)16-7-3-4-12(9-15)10-16/h2,5-6,8,12H,3-4,7,10H2,1H3.
What are the key properties of 1-(3-acetylphenyl)piperidine-3-carbonitrile?
1-(3-acetylphenyl)piperidine-3-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117008107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).