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

C13H23F3N2O2 — CID 142326840

IUPACethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC.CN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C11H17F3N2O2.C2H6/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14;1-2/h7-8,17H,2-6H2,1H3,(H,15,18);1-2H3
InChIKeySCXBBEQTCOLKLZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.54
Rot. Bonds2

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

ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 142326840) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID142326840
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nameethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC.CN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C11H17F3N2O2.C2H6/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14;1-2/h7-8,17H,2-6H2,1H3,(H,15,18);1-2H3
InChIKeySCXBBEQTCOLKLZ-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 142326840) is ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC.CN1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.
What is the InChIKey of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is SCXBBEQTCOLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C2H6/c1-16-5-2-7(8(17)6-16)15-9(18)10(3-4-10)11(12,13)14;1-2/h7-8,17H,2-6H2,1H3,(H,15,18);1-2H3.
What are the key properties of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142326840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).