N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide

C14H17F3N2O3 — CID 71940364

IUPACN-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O3/c1-9(18-12(20)10-4-6-22-8-10)13(21)19-5-2-3-11(7-19)14(15,16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,18,20)
InChIKeySCOYIRCLWZQCJC-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.20
Rot. Bonds3

About N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide (PubChem CID 71940364) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide
PubChem CID71940364
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O3/c1-9(18-12(20)10-4-6-22-8-10)13(21)19-5-2-3-11(7-19)14(15,16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,18,20)
InChIKeySCOYIRCLWZQCJC-UHFFFAOYSA-N
XLogP2.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119631111
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
CID 51963673
(3aS,6aR)-2-[2-(furan-3-carbonylamino)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682749
N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
CID 51086592
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
(2S,3R)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 104966362

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide (CID 71940364) is N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide?
The InChIKey is SCOYIRCLWZQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9(18-12(20)10-4-6-22-8-10)13(21)19-5-2-3-11(7-19)14(15,16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,18,20).
What are the key properties of N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71940364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).