1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide

C17H17FN2O3 — CID 78804067

IUPAC1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H17FN2O3/c18-13-5-3-11(4-6-13)14-7-8-15(23-14)17(22)20-9-1-2-12(10-20)16(19)21/h3-8,12H,1-2,9-10H2,(H2,19,21)
InChIKeyIRUZDGIFBLRLDJ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.42
Rot. Bonds3

About 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide

1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide (PubChem CID 78804067) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
PubChem CID78804067
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H17FN2O3/c18-13-5-3-11(4-6-13)14-7-8-15(23-14)17(22)20-9-1-2-12(10-20)16(19)21/h3-8,12H,1-2,9-10H2,(H2,19,21)
InChIKeyIRUZDGIFBLRLDJ-UHFFFAOYSA-N
XLogP2.42
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide (CID 78804067) is 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is IRUZDGIFBLRLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-13-5-3-11(4-6-13)14-7-8-15(23-14)17(22)20-9-1-2-12(10-20)16(19)21/h3-8,12H,1-2,9-10H2,(H2,19,21).
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide?
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 78804067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).