2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide

C21H26N2O — CID 118398559

IUPAC2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C21H26N2O/c24-21(22-16-9-12-18-10-3-1-4-11-18)23-17-8-7-15-20(23)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2,(H,22,24)
InChIKeyVLHAEHXEXNWPGJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.56
Rot. Bonds5

About 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide

2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 118398559) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID118398559
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C21H26N2O/c24-21(22-16-9-12-18-10-3-1-4-11-18)23-17-8-7-15-20(23)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2,(H,22,24)
InChIKeyVLHAEHXEXNWPGJ-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 118398559) is 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is VLHAEHXEXNWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(22-16-9-12-18-10-3-1-4-11-18)23-17-8-7-15-20(23)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2,(H,22,24).
What are the key properties of 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 118398559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).