N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

C17H16F2N2O3 — CID 46569045

IUPACN-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H16F2N2O3/c18-13-3-4-15(14(19)8-13)20-16(22)11-2-1-6-21(9-11)17(23)12-5-7-24-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,22)
InChIKeyNVCYBFBGNGWYMC-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.05
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 46569045) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID46569045
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H16F2N2O3/c18-13-3-4-15(14(19)8-13)20-16(22)11-2-1-6-21(9-11)17(23)12-5-7-24-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,22)
InChIKeyNVCYBFBGNGWYMC-UHFFFAOYSA-N
XLogP3.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 30804053
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 46569424

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 46569045) is N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is NVCYBFBGNGWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-13-3-4-15(14(19)8-13)20-16(22)11-2-1-6-21(9-11)17(23)12-5-7-24-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46569045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).