N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide

C22H27ClN4O2 — CID 42269040

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-17(18-5-3-2-4-6-18)25-22(29)21(28)24-11-12-26-13-15-27(16-14-26)20-9-7-19(23)8-10-20/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyGIOUHOBZHDCVIJ-KRWDZBQOSA-N
MW414.94 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 42269040) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID42269040
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-17(18-5-3-2-4-6-18)25-22(29)21(28)24-11-12-26-13-15-27(16-14-26)20-9-7-19(23)8-10-20/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyGIOUHOBZHDCVIJ-KRWDZBQOSA-N
XLogP2.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide 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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 42269066
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 42269040) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is GIOUHOBZHDCVIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-17(18-5-3-2-4-6-18)25-22(29)21(28)24-11-12-26-13-15-27(16-14-26)20-9-7-19(23)8-10-20/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/t17-/m0/s1.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 414.94 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 42269040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).