N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide

C11H17F3N2O — CID 56825754

IUPACN-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1CC1NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-7-5-9(7)15-10(17)16-4-2-3-8(6-16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyZUYANSTVALJCIV-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds1

About N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 56825754) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID56825754
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1CC1NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-7-5-9(7)15-10(17)16-4-2-3-8(6-16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyZUYANSTVALJCIV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 100844708
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75894562
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
2-[ethyl-[3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025951
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
(2S,3R)-3-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 104966362
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 56825754) is N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide is CC1CC1NC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZUYANSTVALJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-7-5-9(7)15-10(17)16-4-2-3-8(6-16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56825754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).