(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C11H17F3N2O — CID 100844708

IUPAC(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](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)/t7-,8-,9-/m1/s1
InChIKeyZUYANSTVALJCIV-IWSPIJDZSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds1

About (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide

(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 100844708) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID100844708
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](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)/t7-,8-,9-/m1/s1
InChIKeyZUYANSTVALJCIV-IWSPIJDZSA-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

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
1-Cyclopropyl-1-(3-methylpentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 53596548
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
4-cyano-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97612394
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 164640837
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 100844708) is (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide is C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZUYANSTVALJCIV-IWSPIJDZSA-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)/t7-,8-,9-/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
(3R)-N-[(1R,2R)-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 (3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 100844708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).