1-(2-phenylacetyl)piperidine-4-carbonitrile

C14H16N2O — CID 39247378

IUPAC1-(2-phenylacetyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2O/c15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2
InChIKeyNNDZYSLQLVOWOR-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-phenylacetyl)piperidine-4-carbonitrile

1-(2-phenylacetyl)piperidine-4-carbonitrile (PubChem CID 39247378) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2-phenylacetyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-phenylacetyl)piperidine-4-carbonitrile
PubChem CID39247378
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(2-phenylacetyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2O/c15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2
InChIKeyNNDZYSLQLVOWOR-UHFFFAOYSA-N
XLogP1.99
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenyl)acetyl]piperidine-4-carbonitrile
CID 174745479
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-phenylacetyl)piperidine-4-carbonitrile (CID 39247378) is 1-(2-phenylacetyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-phenylacetyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-phenylacetyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylacetyl)piperidine-4-carbonitrile?
The InChIKey is NNDZYSLQLVOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2.
What are the key properties of 1-(2-phenylacetyl)piperidine-4-carbonitrile?
1-(2-phenylacetyl)piperidine-4-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39247378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).