N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide

C21H25N3O4 — CID 118794821

IUPACN-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1
InChIInChI=1S/C21H25N3O4/c1-14-9-15(2)11-16(10-14)24-8-7-23(13-20(24)25)21(26)22-18-12-17(27-3)5-6-19(18)28-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,26)
InChIKeyFAMBFIRWLHHYKX-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.20
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 118794821) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
PubChem CID118794821
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1
InChIInChI=1S/C21H25N3O4/c1-14-9-15(2)11-16(10-14)24-8-7-23(13-20(24)25)21(26)22-18-12-17(27-3)5-6-19(18)28-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,26)
InChIKeyFAMBFIRWLHHYKX-UHFFFAOYSA-N
XLogP3.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 72912569
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide (CID 118794821) is N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is FAMBFIRWLHHYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-9-15(2)11-16(10-14)24-8-7-23(13-20(24)25)21(26)22-18-12-17(27-3)5-6-19(18)28-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 118794821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).