2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile

C15H18N2O — CID 82179313

IUPAC2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
SMILESCC1CCCCN1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C15H18N2O/c1-12-5-2-3-10-17(12)15(18)14-7-4-6-13(11-14)8-9-16/h4,6-7,11-12H,2-3,5,8,10H2,1H3
InChIKeyNPVGCFMEHLCHIJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds2

About 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile

2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile (PubChem CID 82179313) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
PubChem CID82179313
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
SMILESCC1CCCCN1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C15H18N2O/c1-12-5-2-3-10-17(12)15(18)14-7-4-6-13(11-14)8-9-16/h4,6-7,11-12H,2-3,5,8,10H2,1H3
InChIKeyNPVGCFMEHLCHIJ-UHFFFAOYSA-N
XLogP2.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(cyanomethyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113089
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
2-[3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 129427986
2-[3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 95297980
2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 98761490
1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
CID 126816757
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
benzyl (2R)-1-[3-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylate
CID 95233575
tert-butyl (2R)-1-[3-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylate
CID 95973091
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1012341
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The IUPAC name of 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile (CID 82179313) is 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile is CC1CCCCN1C(=O)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The InChIKey is NPVGCFMEHLCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-2-3-10-17(12)15(18)14-7-4-6-13(11-14)8-9-16/h4,6-7,11-12H,2-3,5,8,10H2,1H3.
What are the key properties of 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile is sourced from PubChem (CID 82179313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).