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

C12H19F3N2O2 — CID 134435219

IUPACN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1
InChIInChI=1S/C12H19F3N2O2/c1-17-6-3-8(9(18)7-17)16-10(19)11(4-2-5-11)12(13,14)15/h8-9,18H,2-7H2,1H3,(H,16,19)
InChIKeyCKYRVJOVOBYRKS-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.90
Rot. Bonds2

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

N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134435219) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID134435219
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1
InChIInChI=1S/C12H19F3N2O2/c1-17-6-3-8(9(18)7-17)16-10(19)11(4-2-5-11)12(13,14)15/h8-9,18H,2-7H2,1H3,(H,16,19)
InChIKeyCKYRVJOVOBYRKS-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]cyclobutanecarboxamide
CID 71989064
N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 134435218
3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 134435308
4,4,4-trifluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)butanamide
CID 134435532
N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 134505537
N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 134505544
4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 134505567
3-fluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
CID 134505731
3,3-difluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 134506075
N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 134515026
2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
CID 138612298
ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 142326840

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134435219) is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is CN1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.
What is the InChIKey of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is CKYRVJOVOBYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-17-6-3-8(9(18)7-17)16-10(19)11(4-2-5-11)12(13,14)15/h8-9,18H,2-7H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-(3-hydroxy-1-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.90, 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)cyclobutane-1-carboxamide is sourced from PubChem (CID 134435219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).