N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

C17H18FN3O3 — CID 3218442

IUPACN-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1ccco1
InChIInChI=1S/C17H18FN3O3/c18-12-3-1-4-14(11-12)20-17(23)21-8-6-13(7-9-21)19-16(22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2,(H,19,22)(H,20,23)
InChIKeyWPUUAHMJGOGZMG-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.85
Rot. Bonds3

About N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide

N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 3218442) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
PubChem CID3218442
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1ccco1
InChIInChI=1S/C17H18FN3O3/c18-12-3-1-4-14(11-12)20-17(23)21-8-6-13(7-9-21)19-16(22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2,(H,19,22)(H,20,23)
InChIKeyWPUUAHMJGOGZMG-UHFFFAOYSA-N
XLogP2.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide (CID 3218442) is N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)c1ccco1.
What is the InChIKey of N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is WPUUAHMJGOGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-3-1-4-14(11-12)20-17(23)21-8-6-13(7-9-21)19-16(22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2,(H,19,22)(H,20,23).
What are the key properties of N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(furan-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 3218442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).