N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide

C23H29N3O4 — CID 32574099

IUPACN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-24(16-18-7-5-4-6-8-18)22(27)17-25-11-13-26(14-12-25)23(28)19-9-10-20(29-2)21(15-19)30-3/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyGRGMWVHMQWHQCW-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.12
Rot. Bonds7

About N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide

N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 32574099) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID32574099
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-24(16-18-7-5-4-6-8-18)22(27)17-25-11-13-26(14-12-25)23(28)19-9-10-20(29-2)21(15-19)30-3/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyGRGMWVHMQWHQCW-UHFFFAOYSA-N
XLogP2.12
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 33079907
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide (CID 32574099) is N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide is COc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is GRGMWVHMQWHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-24(16-18-7-5-4-6-8-18)22(27)17-25-11-13-26(14-12-25)23(28)19-9-10-20(29-2)21(15-19)30-3/h4-10,15H,11-14,16-17H2,1-3H3.
What are the key properties of N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 411.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 32574099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).