N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide

C24H25FN2O3 — CID 24817665

IUPACN-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccc(CO)o2)CC1
InChIInChI=1S/C24H25FN2O3/c25-20-5-1-3-18(13-20)19-4-2-6-21(14-19)26-24(29)17-9-11-27(12-10-17)15-22-7-8-23(16-28)30-22/h1-8,13-14,17,28H,9-12,15-16H2,(H,26,29)
InChIKeyKWYGPTJRNKDIHV-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.43
Rot. Bonds6

About N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide

N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 24817665) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID24817665
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccc(CO)o2)CC1
InChIInChI=1S/C24H25FN2O3/c25-20-5-1-3-18(13-20)19-4-2-6-21(14-19)26-24(29)17-9-11-27(12-10-17)15-22-7-8-23(16-28)30-22/h1-8,13-14,17,28H,9-12,15-16H2,(H,26,29)
InChIKeyKWYGPTJRNKDIHV-UHFFFAOYSA-N
XLogP4.43
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide (CID 24817665) is N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccc(CO)o2)CC1.
What is the InChIKey of N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is KWYGPTJRNKDIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c25-20-5-1-3-18(13-20)19-4-2-6-21(14-19)26-24(29)17-9-11-27(12-10-17)15-22-7-8-23(16-28)30-22/h1-8,13-14,17,28H,9-12,15-16H2,(H,26,29).
What are the key properties of N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide?
N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).