(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone

C25H23ClN2O3 — CID 134801695

IUPAC(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)c2)c1
InChIInChI=1S/C25H23ClN2O3/c1-31-23-10-4-6-19(17-23)18-5-2-7-20(15-18)24(29)27-11-13-28(14-12-27)25(30)21-8-3-9-22(26)16-21/h2-10,15-17H,11-14H2,1H3
InChIKeyJTNXSEQPDWUSRB-UHFFFAOYSA-N
MW434.92 g/mol
LogP4.61
Rot. Bonds4

About (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone

(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 134801695) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
PubChem CID134801695
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)c2)c1
InChIInChI=1S/C25H23ClN2O3/c1-31-23-10-4-6-19(17-23)18-5-2-7-20(15-18)24(29)27-11-13-28(14-12-27)25(30)21-8-3-9-22(26)16-21/h2-10,15-17H,11-14H2,1H3
InChIKeyJTNXSEQPDWUSRB-UHFFFAOYSA-N
XLogP4.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone (CID 134801695) is (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone is COc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)c2)c1.
What is the InChIKey of (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is JTNXSEQPDWUSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-31-23-10-4-6-19(17-23)18-5-2-7-20(15-18)24(29)27-11-13-28(14-12-27)25(30)21-8-3-9-22(26)16-21/h2-10,15-17H,11-14H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 434.92 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134801695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).