[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone

C21H24N2O3 — CID 110495905

IUPAC[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-6-4-5-18(15-19)21(25)23-13-11-22(12-14-23)20(24)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyKTGNDZTXFHODCB-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.99
Rot. Bonds4

About [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 110495905) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID110495905
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-6-4-5-18(15-19)21(25)23-13-11-22(12-14-23)20(24)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyKTGNDZTXFHODCB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 136538502
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 110495905) is [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is CCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is KTGNDZTXFHODCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19-6-4-5-18(15-19)21(25)23-13-11-22(12-14-23)20(24)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110495905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).