1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one

C20H21ClN2O3 — CID 46036453

IUPAC1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C)c(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-7-16(12-18(13)21)23-11-10-22(14(2)19(23)24)20(25)15-5-8-17(26-3)9-6-15/h4-9,12,14H,10-11H2,1-3H3
InChIKeyQMUHPQACSXJELX-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.53
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one

1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 46036453) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID46036453
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C)c(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-7-16(12-18(13)21)23-11-10-22(14(2)19(23)24)20(25)15-5-8-17(26-3)9-6-15/h4-9,12,14H,10-11H2,1-3H3
InChIKeyQMUHPQACSXJELX-UHFFFAOYSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one (CID 46036453) is 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one is COc1ccc(C(=O)N2CCN(c3ccc(C)c(Cl)c3)C(=O)C2C)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is QMUHPQACSXJELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-4-7-16(12-18(13)21)23-11-10-22(14(2)19(23)24)20(25)15-5-8-17(26-3)9-6-15/h4-9,12,14H,10-11H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 372.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).