5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one

C23H22N2O3 — CID 663320

IUPAC5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-21-12-11-20(17-28-21)23(27)25-15-13-24(14-16-25)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2
InChIKeyNXDMJAXCOAEHFP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.19
Rot. Bonds4

About 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one

5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one (PubChem CID 663320) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one
PubChem CID663320
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-21-12-11-20(17-28-21)23(27)25-15-13-24(14-16-25)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2
InChIKeyNXDMJAXCOAEHFP-UHFFFAOYSA-N
XLogP3.19
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one 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 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one?
The IUPAC name of 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one (CID 663320) is 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one?
The canonical SMILES for 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one is O=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one?
The InChIKey is NXDMJAXCOAEHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21-12-11-20(17-28-21)23(27)25-15-13-24(14-16-25)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2.
What are the key properties of 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one?
5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 663320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).