[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone

C21H24N2O3 — CID 110802032

IUPAC[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OC
InChIInChI=1S/C21H24N2O3/c1-3-16-15-18(9-10-19(16)26-2)21(25)23-13-11-22(12-14-23)20(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyVOIGNOVJMUZQCZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.86
Rot. Bonds4

About [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone

[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 110802032) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID110802032
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OC
InChIInChI=1S/C21H24N2O3/c1-3-16-15-18(9-10-19(16)26-2)21(25)23-13-11-22(12-14-23)20(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyVOIGNOVJMUZQCZ-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
benzyl 4-(4-methoxy-3-prop-2-enylbenzoyl)piperazine-1-carboxylate
CID 59727907
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone (CID 110802032) is [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone is CCc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OC.
What is the InChIKey of [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is VOIGNOVJMUZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-16-15-18(9-10-19(16)26-2)21(25)23-13-11-22(12-14-23)20(24)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 352.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 110802032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).