1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile

C14H15FN2O2 — CID 116837933

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
SMILESCOc1ccc(CN2CC(C#N)CCC2=O)cc1F
InChIInChI=1S/C14H15FN2O2/c1-19-13-4-2-10(6-12(13)15)8-17-9-11(7-16)3-5-14(17)18/h2,4,6,11H,3,5,8-9H2,1H3
InChIKeyNDQVFZFEOIHKRJ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.10
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile

1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile (PubChem CID 116837933) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
PubChem CID116837933
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
SMILESCOc1ccc(CN2CC(C#N)CCC2=O)cc1F
InChIInChI=1S/C14H15FN2O2/c1-19-13-4-2-10(6-12(13)15)8-17-9-11(7-16)3-5-14(17)18/h2,4,6,11H,3,5,8-9H2,1H3
InChIKeyNDQVFZFEOIHKRJ-UHFFFAOYSA-N
XLogP2.10
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
1-[(5-bromo-2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837942
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71836749
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(2,4-dimethylphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837935
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[2-(2,4-difluorophenyl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837830
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64883584
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66075685

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile (CID 116837933) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile is COc1ccc(CN2CC(C#N)CCC2=O)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile?
The InChIKey is NDQVFZFEOIHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-19-13-4-2-10(6-12(13)15)8-17-9-11(7-16)3-5-14(17)18/h2,4,6,11H,3,5,8-9H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile?
1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile has a molecular weight of 262.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 116837933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).