(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide

C23H29ClN4O2 — CID 8799927

IUPAC(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H29ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h4-12,18H,3,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyHJYCRVPOLYHLTJ-GOSISDBHSA-N
MW428.96 g/mol
LogP3.34
Rot. Bonds7

About (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide (PubChem CID 8799927) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
PubChem CID8799927
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H29ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h4-12,18H,3,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyHJYCRVPOLYHLTJ-GOSISDBHSA-N
XLogP3.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide 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

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
CID 29162340
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
CID 8800095
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide (CID 8799927) is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide?
The InChIKey is HJYCRVPOLYHLTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h4-12,18H,3,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide?
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide has a molecular weight of 428.96 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 8799927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).