N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

C22H26FN3O2 — CID 16892338

IUPACN'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H26FN3O2/c23-19-8-2-3-9-20(19)25-22(28)21(27)24-14-6-7-17-10-12-18(13-11-17)26-15-4-1-5-16-26/h2-3,8-13H,1,4-7,14-16H2,(H,24,27)(H,25,28)
InChIKeyVGNOJNHCRZTYEV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds6

About N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (PubChem CID 16892338) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
PubChem CID16892338
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H26FN3O2/c23-19-8-2-3-9-20(19)25-22(28)21(27)24-14-6-7-17-10-12-18(13-11-17)26-15-4-1-5-16-26/h2-3,8-13H,1,4-7,14-16H2,(H,24,27)(H,25,28)
InChIKeyVGNOJNHCRZTYEV-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.50
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-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
CID 16891945
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 16891935
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (CID 16892338) is N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is O=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The InChIKey is VGNOJNHCRZTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-8-2-3-9-20(19)25-22(28)21(27)24-14-6-7-17-10-12-18(13-11-17)26-15-4-1-5-16-26/h2-3,8-13H,1,4-7,14-16H2,(H,24,27)(H,25,28).
What are the key properties of N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide has a molecular weight of 383.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).