1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide

C18H18F3N3O4 — CID 55961635

IUPAC1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)11-28-15-7-6-12(10-22-15)23-16(25)13-4-1-2-8-24(13)17(26)14-5-3-9-27-14/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,23,25)
InChIKeyIEHCLSVRTWKZCH-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.25
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide (PubChem CID 55961635) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
PubChem CID55961635
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC Name1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)11-28-15-7-6-12(10-22-15)23-16(25)13-4-1-2-8-24(13)17(26)14-5-3-9-27-14/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,23,25)
InChIKeyIEHCLSVRTWKZCH-UHFFFAOYSA-N
XLogP3.25
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 120605153
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
1-(furan-2-ylmethyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55714338
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide (CID 55961635) is 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide?
The InChIKey is IEHCLSVRTWKZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c19-18(20,21)11-28-15-7-6-12(10-22-15)23-16(25)13-4-1-2-8-24(13)17(26)14-5-3-9-27-14/h3,5-7,9-10,13H,1-2,4,8,11H2,(H,23,25).
What are the key properties of 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide has a molecular weight of 397.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 55961635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).