3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile

C15H18N2O — CID 62125197

IUPAC3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
SMILESCC1CCCN(C(=O)c2cccc(C#N)c2)C1C
InChIInChI=1S/C15H18N2O/c1-11-5-4-8-17(12(11)2)15(18)14-7-3-6-13(9-14)10-16/h3,6-7,9,11-12H,4-5,8H2,1-2H3
InChIKeyQDFWRVVYGCBRSA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.82
Rot. Bonds1

About 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile

3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile (PubChem CID 62125197) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
PubChem CID62125197
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
SMILESCC1CCCN(C(=O)c2cccc(C#N)c2)C1C
InChIInChI=1S/C15H18N2O/c1-11-5-4-8-17(12(11)2)15(18)14-7-3-6-13(9-14)10-16/h3,6-7,9,11-12H,4-5,8H2,1-2H3
InChIKeyQDFWRVVYGCBRSA-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 129428393
3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 95303105
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
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3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
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3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
3-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 94822438
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile (CID 62125197) is 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile is CC1CCCN(C(=O)c2cccc(C#N)c2)C1C.
What is the InChIKey of 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile?
The InChIKey is QDFWRVVYGCBRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-4-8-17(12(11)2)15(18)14-7-3-6-13(9-14)10-16/h3,6-7,9,11-12H,4-5,8H2,1-2H3.
What are the key properties of 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile?
3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 62125197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).