1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C18H17F3N2O4 — CID 35750813

IUPAC1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)27-15-4-2-1-3-14(15)22-16(24)12-5-8-23(9-6-12)17(25)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,22,24)
InChIKeyYTFMKUBMBJGEFG-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.67
Rot. Bonds4

About 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 35750813) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID35750813
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)27-15-4-2-1-3-14(15)22-16(24)12-5-8-23(9-6-12)17(25)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,22,24)
InChIKeyYTFMKUBMBJGEFG-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 35676238
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 35750813) is 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is YTFMKUBMBJGEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c19-18(20,21)27-15-4-2-1-3-14(15)22-16(24)12-5-8-23(9-6-12)17(25)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,22,24).
What are the key properties of 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 35750813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).