3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile

C17H21N3O — CID 63515337

IUPAC3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C17H21N3O/c18-12-14-5-4-6-15(11-14)17(21)20-10-7-16(13-20)19-8-2-1-3-9-19/h4-6,11,16H,1-3,7-10,13H2
InChIKeyAWCOTHCIZQDXHT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.26
Rot. Bonds2

About 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile

3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile (PubChem CID 63515337) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
PubChem CID63515337
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(N3CCCCC3)C2)c1
InChIInChI=1S/C17H21N3O/c18-12-14-5-4-6-15(11-14)17(21)20-10-7-16(13-20)19-8-2-1-3-9-19/h4-6,11,16H,1-3,7-10,13H2
InChIKeyAWCOTHCIZQDXHT-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile 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

3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 94822438
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 125130874
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
3-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 131657094
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile (CID 63515337) is 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCC(N3CCCCC3)C2)c1.
What is the InChIKey of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile?
The InChIKey is AWCOTHCIZQDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-12-14-5-4-6-15(11-14)17(21)20-10-7-16(13-20)19-8-2-1-3-9-19/h4-6,11,16H,1-3,7-10,13H2.
What are the key properties of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile?
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile has a molecular weight of 283.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 63515337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).