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

C21H24N2O4 — CID 39572485

IUPAC[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-15-4-6-16(7-5-15)20(24)22-10-12-23(13-11-22)21(25)17-8-9-18(26-2)19(14-17)27-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXNBLHLCJATUIKH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.61
Rot. Bonds4

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

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 39572485) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID39572485
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-15-4-6-16(7-5-15)20(24)22-10-12-23(13-11-22)21(25)17-8-9-18(26-2)19(14-17)27-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXNBLHLCJATUIKH-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

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113074511
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108543805
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
(3,4-dimethoxyphenyl)-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 33002448
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 39572485) is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is XNBLHLCJATUIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-4-6-16(7-5-15)20(24)22-10-12-23(13-11-22)21(25)17-8-9-18(26-2)19(14-17)27-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)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-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 39572485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).