[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H24N2O4 — CID 110814937

IUPAC[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C21H24N2O4/c1-15-8-9-19(27-3)17(14-15)21(25)23-12-10-22(11-13-23)20(24)16-6-4-5-7-18(16)26-2/h4-9,14H,10-13H2,1-3H3
InChIKeyCJSURBSRNPOISA-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.61
Rot. Bonds4

About [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 110814937) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID110814937
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C21H24N2O4/c1-15-8-9-19(27-3)17(14-15)21(25)23-12-10-22(11-13-23)20(24)16-6-4-5-7-18(16)26-2/h4-9,14H,10-13H2,1-3H3
InChIKeyCJSURBSRNPOISA-UHFFFAOYSA-N
XLogP2.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 110814937) is [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CJSURBSRNPOISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-8-9-19(27-3)17(14-15)21(25)23-12-10-22(11-13-23)20(24)16-6-4-5-7-18(16)26-2/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 368.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110814937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).