(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

C25H26N4O2 — CID 66840199

IUPAC(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIInChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2
InChIKeyVJCPSWJTOPIFKF-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.96
Rot. Bonds4

About (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66840199) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
PubChem CID66840199
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIInChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2
InChIKeyVJCPSWJTOPIFKF-UHFFFAOYSA-N
XLogP2.96
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (CID 66840199) is (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is VJCPSWJTOPIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2.
What are the key properties of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66840199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).