N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

C11H17F3N2O2 — CID 134435218

IUPACN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C11H17F3N2O2/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,18)
InChIKeyGBXZNZLVLBAOSC-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.51
Rot. Bonds2

About N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 134435218) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID134435218
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C11H17F3N2O2/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,18)
InChIKeyGBXZNZLVLBAOSC-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 134435218) is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.
What is the InChIKey of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is GBXZNZLVLBAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,18).
What are the key properties of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134435218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).