N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

C18H17F3N2O3 — CID 38215685

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-4-2-1-3-14(15)16(24)22-13-5-8-23(9-6-13)17(25)12-7-10-26-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,22,24)
InChIKeyBOQLSCAZXOKVHU-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.33
Rot. Bonds3

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 38215685) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID38215685
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-4-2-1-3-14(15)16(24)22-13-5-8-23(9-6-13)17(25)12-7-10-26-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,22,24)
InChIKeyBOQLSCAZXOKVHU-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24667518
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 171684796
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 24660101
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 38215685) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is BOQLSCAZXOKVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)15-4-2-1-3-14(15)16(24)22-13-5-8-23(9-6-13)17(25)12-7-10-26-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,22,24).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 38215685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).