N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide

C21H25ClN4O2 — CID 42390241

IUPACN'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H25ClN4O2/c22-18-9-4-5-10-19(18)24-21(28)20(27)23-11-6-12-25-13-15-26(16-14-25)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,27)(H,24,28)
InChIKeyXNNVPIDFWSNMSN-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.61
Rot. Bonds6

About N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide

N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide (PubChem CID 42390241) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
PubChem CID42390241
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H25ClN4O2/c22-18-9-4-5-10-19(18)24-21(28)20(27)23-11-6-12-25-13-15-26(16-14-25)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,27)(H,24,28)
InChIKeyXNNVPIDFWSNMSN-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide (CID 42390241) is N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide?
The InChIKey is XNNVPIDFWSNMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-18-9-4-5-10-19(18)24-21(28)20(27)23-11-6-12-25-13-15-26(16-14-25)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,27)(H,24,28).
What are the key properties of N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide?
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide has a molecular weight of 400.91 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 42390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).