(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

C21H24N2O3 — CID 32770368

IUPAC(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-16-8-10-17(11-9-16)20(24)22-12-14-23(15-13-22)21(25)18-6-4-5-7-19(18)26-2/h4-11H,3,12-15H2,1-2H3
InChIKeyAWRBXMBWVLPKKC-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.86
Rot. Bonds4

About (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 32770368) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID32770368
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-16-8-10-17(11-9-16)20(24)22-12-14-23(15-13-22)21(25)18-6-4-5-7-19(18)26-2/h4-11H,3,12-15H2,1-2H3
InChIKeyAWRBXMBWVLPKKC-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-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
[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
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 35138374
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7538941

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (CID 32770368) is (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is AWRBXMBWVLPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-16-8-10-17(11-9-16)20(24)22-12-14-23(15-13-22)21(25)18-6-4-5-7-19(18)26-2/h4-11H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone 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-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32770368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).