4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile

C19H25N3O — CID 132917422

IUPAC4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
InChIKeyBLOJSAYUWXASOD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds4

About 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile

4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile (PubChem CID 132917422) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile
PubChem CID132917422
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
InChIKeyBLOJSAYUWXASOD-UHFFFAOYSA-N
XLogP3.18
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile (CID 132917422) is 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile?
The InChIKey is BLOJSAYUWXASOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2.
What are the key properties of 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile?
4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile has a molecular weight of 311.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 132917422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).