5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

C23H22N2O3 — CID 52942771

IUPAC5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
InChIKeyHRCJWSMGRBNLPF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.82
Rot. Bonds4

About 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 52942771) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID52942771
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
InChIKeyHRCJWSMGRBNLPF-UHFFFAOYSA-N
XLogP4.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 52942771) is 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is HRCJWSMGRBNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26).
What are the key properties of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 52942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).