1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one

C17H25F3N4O — CID 119139649

IUPAC1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one
SMILESCn1ccc(N2CCCC(NCC3CCC(C(F)(F)F)CC3)C2=O)n1
InChIInChI=1S/C17H25F3N4O/c1-23-10-8-15(22-23)24-9-2-3-14(16(24)25)21-11-12-4-6-13(7-5-12)17(18,19)20/h8,10,12-14,21H,2-7,9,11H2,1H3
InChIKeyFXTHGSPBIRMAQS-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.87
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one

1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one (PubChem CID 119139649) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one
PubChem CID119139649
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one
SMILESCn1ccc(N2CCCC(NCC3CCC(C(F)(F)F)CC3)C2=O)n1
InChIInChI=1S/C17H25F3N4O/c1-23-10-8-15(22-23)24-9-2-3-14(16(24)25)21-11-12-4-6-13(7-5-12)17(18,19)20/h8,10,12-14,21H,2-7,9,11H2,1H3
InChIKeyFXTHGSPBIRMAQS-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one (CID 119139649) is 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one is Cn1ccc(N2CCCC(NCC3CCC(C(F)(F)F)CC3)C2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one?
The InChIKey is FXTHGSPBIRMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-23-10-8-15(22-23)24-9-2-3-14(16(24)25)21-11-12-4-6-13(7-5-12)17(18,19)20/h8,10,12-14,21H,2-7,9,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one?
1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one has a molecular weight of 358.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methylamino]piperidin-2-one is sourced from PubChem (CID 119139649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).