(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C20H21ClN4O3 — CID 40769227

IUPAC(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O3/c1-13-5-7-15(8-6-13)23-18(26)12-17-19(27)22-9-10-25(17)20(28)24-16-4-2-3-14(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,27)(H,23,26)(H,24,28)/t17-/m1/s1
InChIKeyMTMJTUOYVJAKET-QGZVFWFLSA-N
MW400.87 g/mol
LogP3.01
Rot. Bonds4

About (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 40769227) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID40769227
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O3/c1-13-5-7-15(8-6-13)23-18(26)12-17-19(27)22-9-10-25(17)20(28)24-16-4-2-3-14(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,27)(H,23,26)(H,24,28)/t17-/m1/s1
InChIKeyMTMJTUOYVJAKET-QGZVFWFLSA-N
XLogP3.01
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 41281853
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
(2S)-N-(3,4-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 2014037
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17036645
(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 6975937
N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 97033698
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 40769227) is (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is MTMJTUOYVJAKET-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13-5-7-15(8-6-13)23-18(26)12-17-19(27)22-9-10-25(17)20(28)24-16-4-2-3-14(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,27)(H,23,26)(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 40769227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).