3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile

C24H19N3O2 — CID 70754055

IUPAC3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2=O)c1
InChIInChI=1S/C24H19N3O2/c25-16-18-7-6-10-20(15-18)27-14-13-26(17-23(27)28)24(29)22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,15H,13-14,17H2
InChIKeyIJGQFUGNFJTHEY-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.71
Rot. Bonds3

About 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile

3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile (PubChem CID 70754055) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile
PubChem CID70754055
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2=O)c1
InChIInChI=1S/C24H19N3O2/c25-16-18-7-6-10-20(15-18)27-14-13-26(17-23(27)28)24(29)22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,15H,13-14,17H2
InChIKeyIJGQFUGNFJTHEY-UHFFFAOYSA-N
XLogP3.71
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile (CID 70754055) is 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile is N#Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2=O)c1.
What is the InChIKey of 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile?
The InChIKey is IJGQFUGNFJTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-16-18-7-6-10-20(15-18)27-14-13-26(17-23(27)28)24(29)22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,15H,13-14,17H2.
What are the key properties of 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile?
3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile has a molecular weight of 381.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 70754055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).