N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

C24H24N2O3 — CID 46569506

IUPACN-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C24H24N2O3/c27-23(20-10-6-13-26(16-20)24(28)21-12-14-29-17-21)25-22-11-5-4-9-19(22)15-18-7-2-1-3-8-18/h1-5,7-9,11-12,14,17,20H,6,10,13,15-16H2,(H,25,27)
InChIKeyIUDYDCKOJKSPIZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.36
Rot. Bonds5

About N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 46569506) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID46569506
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C24H24N2O3/c27-23(20-10-6-13-26(16-20)24(28)21-12-14-29-17-21)25-22-11-5-4-9-19(22)15-18-7-2-1-3-8-18/h1-5,7-9,11-12,14,17,20H,6,10,13,15-16H2,(H,25,27)
InChIKeyIUDYDCKOJKSPIZ-UHFFFAOYSA-N
XLogP4.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 46569506) is N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is IUDYDCKOJKSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(20-10-6-13-26(16-20)24(28)21-12-14-29-17-21)25-22-11-5-4-9-19(22)15-18-7-2-1-3-8-18/h1-5,7-9,11-12,14,17,20H,6,10,13,15-16H2,(H,25,27).
What are the key properties of N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46569506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).