2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide

C24H30N4O5 — CID 55543892

IUPAC2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H30N4O5/c1-4-25-24(31)26-22(29)21(17-8-6-5-7-9-17)27-12-14-28(15-13-27)23(30)18-10-11-19(32-2)20(16-18)33-3/h5-11,16,21H,4,12-15H2,1-3H3,(H2,25,26,29,31)
InChIKeyXXNXBPOIZRUUBB-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.05
Rot. Bonds7

About 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide

2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 55543892) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID55543892
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H30N4O5/c1-4-25-24(31)26-22(29)21(17-8-6-5-7-9-17)27-12-14-28(15-13-27)23(30)18-10-11-19(32-2)20(16-18)33-3/h5-11,16,21H,4,12-15H2,1-3H3,(H2,25,26,29,31)
InChIKeyXXNXBPOIZRUUBB-UHFFFAOYSA-N
XLogP2.05
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
CID 31990895
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 11933944
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 46553316
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide (CID 55543892) is 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is XXNXBPOIZRUUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-4-25-24(31)26-22(29)21(17-8-6-5-7-9-17)27-12-14-28(15-13-27)23(30)18-10-11-19(32-2)20(16-18)33-3/h5-11,16,21H,4,12-15H2,1-3H3,(H2,25,26,29,31).
What are the key properties of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide?
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 454.53 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 55543892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).