N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

C22H26ClN3O2 — CID 16892318

IUPACN'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN3O2/c23-18-7-4-8-19(16-18)25-22(28)21(27)24-13-5-6-17-9-11-20(12-10-17)26-14-2-1-3-15-26/h4,7-12,16H,1-3,5-6,13-15H2,(H,24,27)(H,25,28)
InChIKeyYLIJVGWCQIEXHP-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.02
Rot. Bonds6

About N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (PubChem CID 16892318) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
PubChem CID16892318
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN3O2/c23-18-7-4-8-19(16-18)25-22(28)21(27)24-13-5-6-17-9-11-20(12-10-17)26-14-2-1-3-15-26/h4,7-12,16H,1-3,5-6,13-15H2,(H,24,27)(H,25,28)
InChIKeyYLIJVGWCQIEXHP-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
CID 16891945
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
N'-(3-fluorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891835
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (CID 16892318) is N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is O=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The InChIKey is YLIJVGWCQIEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-18-7-4-8-19(16-18)25-22(28)21(27)24-13-5-6-17-9-11-20(12-10-17)26-14-2-1-3-15-26/h4,7-12,16H,1-3,5-6,13-15H2,(H,24,27)(H,25,28).
What are the key properties of N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide has a molecular weight of 399.92 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).