N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

C13H21F3N2O2 — CID 134505537

IUPACN-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C13H21F3N2O2/c1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyMYTSVLFGQWMPNC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds3

About N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 134505537) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID134505537
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1
InChIInChI=1S/C13H21F3N2O2/c1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20)
InChIKeyMYTSVLFGQWMPNC-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
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-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 134505537) is N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.
What is the InChIKey of N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is MYTSVLFGQWMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16/h8-10,19H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134505537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).