N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide

C11H17F3N2O — CID 113245868

IUPACN-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-4-6-16(7-5-8)10(17)15-9-2-1-3-9/h8-9H,1-7H2,(H,15,17)
InChIKeyKWGKRZMGWLNPIY-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.52
Rot. Bonds1

About N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide

N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 113245868) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID113245868
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-4-6-16(7-5-8)10(17)15-9-2-1-3-9/h8-9H,1-7H2,(H,15,17)
InChIKeyKWGKRZMGWLNPIY-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
1-Cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
CID 71858906
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1,3-Dimethyl-1-[1-(1-methylpiperidin-4-yl)ethyl]urea
CID 132284207
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
1-[1-(1-Cyclobutylpiperidin-3-yl)ethyl]-3-(2,2-difluoroethyl)urea
CID 86786392
7,8-Dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968737

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 113245868) is N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NC1CCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is KWGKRZMGWLNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)8-4-6-16(7-5-8)10(17)15-9-2-1-3-9/h8-9H,1-7H2,(H,15,17).
What are the key properties of N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide?
N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 113245868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).