N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C20H22ClN3O4 — CID 46036574

IUPACN-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C(C)C2=O)c(OC)c1
InChIInChI=1S/C20H22ClN3O4/c1-13-19(25)24(17-8-7-16(27-2)12-18(17)28-3)10-9-23(13)20(26)22-15-6-4-5-14(21)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,26)
InChIKeyCQZMOFPVBRRJBH-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 46036574) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID46036574
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C(C)C2=O)c(OC)c1
InChIInChI=1S/C20H22ClN3O4/c1-13-19(25)24(17-8-7-16(27-2)12-18(17)28-3)10-9-23(13)20(26)22-15-6-4-5-14(21)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,26)
InChIKeyCQZMOFPVBRRJBH-UHFFFAOYSA-N
XLogP3.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804
(2R)-N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93322041
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
CID 46036409
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 46036574) is N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C(C)C2=O)c(OC)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is CQZMOFPVBRRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-13-19(25)24(17-8-7-16(27-2)12-18(17)28-3)10-9-23(13)20(26)22-15-6-4-5-14(21)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,26).
What are the key properties of N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 46036574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).