[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone

C23H21N3O2 — CID 146590919

IUPAC[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H21N3O2/c27-22(19-10-12-24-13-11-19)18-6-8-21(9-7-18)25-14-16-26(17-15-25)23(28)20-4-2-1-3-5-20/h1-13H,14-17H2
InChIKeyOYDCYMGDGIOEDH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.28
Rot. Bonds4

About [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone

[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone (PubChem CID 146590919) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
PubChem CID146590919
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H21N3O2/c27-22(19-10-12-24-13-11-19)18-6-8-21(9-7-18)25-14-16-26(17-15-25)23(28)20-4-2-1-3-5-20/h1-13H,14-17H2
InChIKeyOYDCYMGDGIOEDH-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone 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

bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone (CID 146590919) is [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is OYDCYMGDGIOEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-22(19-10-12-24-13-11-19)18-6-8-21(9-7-18)25-14-16-26(17-15-25)23(28)20-4-2-1-3-5-20/h1-13H,14-17H2.
What are the key properties of [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone?
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 371.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 146590919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).