1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone

C21H24N2O4 — CID 650859

IUPAC1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-9-8-17(15-19(18)27-2)21(25)23-12-10-22(11-13-23)20(24)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3
InChIKeyCQTBABUDMNOWAY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 650859) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID650859
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-9-8-17(15-19(18)27-2)21(25)23-12-10-22(11-13-23)20(24)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3
InChIKeyCQTBABUDMNOWAY-UHFFFAOYSA-N
XLogP2.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethanone
CID 108935035
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110808213
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 108934973
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
1-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804234
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone (CID 650859) is 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone is COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is CQTBABUDMNOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-9-8-17(15-19(18)27-2)21(25)23-12-10-22(11-13-23)20(24)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 368.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 650859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).