[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

C21H23ClN2O3 — CID 108535373

IUPAC[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-5-16(12-15(14)2)20(25)23-8-10-24(11-9-23)21(26)18-13-17(22)6-7-19(18)27-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBVNRJUOZWHNXFA-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.56
Rot. Bonds3

About [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 108535373) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID108535373
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-5-16(12-15(14)2)20(25)23-8-10-24(11-9-23)21(26)18-13-17(22)6-7-19(18)27-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBVNRJUOZWHNXFA-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
1-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 2524336
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108546179
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
2-(2,4-dichlorophenoxy)-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethanone
CID 108536090
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110799983

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (CID 108535373) is [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is BVNRJUOZWHNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-4-5-16(12-15(14)2)20(25)23-8-10-24(11-9-23)21(26)18-13-17(22)6-7-19(18)27-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 386.88 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 108535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).