(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone

C15H23F3N2O — CID 166272960

IUPAC(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C(F)(F)F)CCN(C(=O)C2CCC(C3CC3)N2)CC1
InChIInChI=1S/C15H23F3N2O/c1-14(15(16,17)18)6-8-20(9-7-14)13(21)12-5-4-11(19-12)10-2-3-10/h10-12,19H,2-9H2,1H3
InChIKeyOTEHHIAYKZNBSX-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.71
Rot. Bonds2

About (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone

(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 166272960) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID166272960
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C(F)(F)F)CCN(C(=O)C2CCC(C3CC3)N2)CC1
InChIInChI=1S/C15H23F3N2O/c1-14(15(16,17)18)6-8-20(9-7-14)13(21)12-5-4-11(19-12)10-2-3-10/h10-12,19H,2-9H2,1H3
InChIKeyOTEHHIAYKZNBSX-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90019969
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020449
(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-N-(1,1,1-trifluoro-5,6-dioxoheptan-4-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 117744538
(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-N-(1,1,1-trifluoro-4,5-dioxohexan-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 117744703
(1R,2S,5S)-N-(1-cyclopropyl-3,4-dioxopentan-2-yl)-3-[(2S)-2-(4,4-difluorocyclohexyl)propanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 117744716
(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-N-[(4S)-1,1,1-trifluoro-5,6-dioxoheptan-4-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 117758067
(1R,2S,5S)-N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 117758639
1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 123652283
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid (3,3-dimethyl-butyl)-amide trifluoroacetate
CID 131736110
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid ((1R,3S)-3-trifluoromethyl-cyclohexyl)-amide hydrochloride
CID 131742548
(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide
CID 141402730
(4,4-dimethylpiperidin-2-yl)-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 141797365

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 166272960) is (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone is CC1(C(F)(F)F)CCN(C(=O)C2CCC(C3CC3)N2)CC1.
What is the InChIKey of (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OTEHHIAYKZNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-14(15(16,17)18)6-8-20(9-7-14)13(21)12-5-4-11(19-12)10-2-3-10/h10-12,19H,2-9H2,1H3.
What are the key properties of (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
(5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166272960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).