4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

C17H25N3O4 — CID 24716696

IUPAC4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1OC
InChIInChI=1S/C17H25N3O4/c1-11(2)18-17(22)19-8-9-20(16(21)12(19)3)13-6-7-14(23-4)15(10-13)24-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,22)
InChIKeyUWZYJDXDEIRGBD-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.86
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 24716696) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID24716696
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1OC
InChIInChI=1S/C17H25N3O4/c1-11(2)18-17(22)19-8-9-20(16(21)12(19)3)13-6-7-14(23-4)15(10-13)24-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,22)
InChIKeyUWZYJDXDEIRGBD-UHFFFAOYSA-N
XLogP1.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
4-(4-ethylphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 24716847
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93322248
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
1-(3,4-dimethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24719545
(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322613
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322608
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716639
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (CID 24716696) is 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NC(C)C)C(C)C2=O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is UWZYJDXDEIRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(2)18-17(22)19-8-9-20(16(21)12(19)3)13-6-7-14(23-4)15(10-13)24-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 24716696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).