3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile

C18H23N3O — CID 51090890

IUPAC3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H23N3O/c19-14-15-5-4-6-16(13-15)18(22)21-11-7-17(8-12-21)20-9-2-1-3-10-20/h4-6,13,17H,1-3,7-12H2
InChIKeyZINZJJAJXQXZOM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.65
Rot. Bonds2

About 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile

3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile (PubChem CID 51090890) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
PubChem CID51090890
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H23N3O/c19-14-15-5-4-6-16(13-15)18(22)21-11-7-17(8-12-21)20-9-2-1-3-10-20/h4-6,13,17H,1-3,7-12H2
InChIKeyZINZJJAJXQXZOM-UHFFFAOYSA-N
XLogP2.65
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 94822438
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile (CID 51090890) is 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile?
The InChIKey is ZINZJJAJXQXZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-14-15-5-4-6-16(13-15)18(22)21-11-7-17(8-12-21)20-9-2-1-3-10-20/h4-6,13,17H,1-3,7-12H2.
What are the key properties of 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile?
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile has a molecular weight of 297.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 51090890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).