(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide

C19H25ClN4O3 — CID 41281654

IUPAC(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1
InChIKeySCCWJBZNYFVCLT-MRXNPFEDSA-N
MW392.89 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide

(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide (PubChem CID 41281654) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
PubChem CID41281654
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1
InChIKeySCCWJBZNYFVCLT-MRXNPFEDSA-N
XLogP2.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-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-(2-chlorophenyl)-2-[(2S)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29045076
N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
CID 17121266
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
(2S)-N-(3,4-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 2014037
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cycloheptylacetamide
CID 42381747
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527
2-[1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-chlorophenyl)acetamide
CID 43854529
N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 94859731
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide (CID 41281654) is (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl.
What is the InChIKey of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The InChIKey is SCCWJBZNYFVCLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 41281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).