1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile

C14H15FN2O — CID 116837872

IUPAC1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C14H15FN2O/c15-13-3-1-11(2-4-13)5-7-17-8-6-12(10-16)9-14(17)18/h1-4,12H,5-9H2
InChIKeyOVMSZUDILWWUNY-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile

1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile (PubChem CID 116837872) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
PubChem CID116837872
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C14H15FN2O/c15-13-3-1-11(2-4-13)5-7-17-8-6-12(10-16)9-14(17)18/h1-4,12H,5-9H2
InChIKeyOVMSZUDILWWUNY-UHFFFAOYSA-N
XLogP2.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
CID 116837901
1-[2-(3,4-dimethylphenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837870
2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
CID 116820331
(3S)-N,N-bis(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373848
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25292865
1-[2-(4-methylphenoxy)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116820334
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838048
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83986149
(4S)-4-(1,4-dithiepan-6-ylamino)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25281281
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468
4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
CID 22350240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile (CID 116837872) is 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile is N#CC1CCN(CCc2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile?
The InChIKey is OVMSZUDILWWUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-3-1-11(2-4-13)5-7-17-8-6-12(10-16)9-14(17)18/h1-4,12H,5-9H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile?
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile has a molecular weight of 246.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile is sourced from PubChem (CID 116837872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).