1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H21F3N4O — CID 75494418

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1cc(CCN2CCCC(C(=O)NCC(F)(F)F)C2)cn1
InChIInChI=1S/C14H21F3N4O/c1-20-8-11(7-19-20)4-6-21-5-2-3-12(9-21)13(22)18-10-14(15,16)17/h7-8,12H,2-6,9-10H2,1H3,(H,18,22)
InChIKeyLDRQXIYHBLWBEQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.35
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75494418) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75494418
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1cc(CCN2CCCC(C(=O)NCC(F)(F)F)C2)cn1
InChIInChI=1S/C14H21F3N4O/c1-20-8-11(7-19-20)4-6-21-5-2-3-12(9-21)13(22)18-10-14(15,16)17/h7-8,12H,2-6,9-10H2,1H3,(H,18,22)
InChIKeyLDRQXIYHBLWBEQ-UHFFFAOYSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75494418) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cn1cc(CCN2CCCC(C(=O)NCC(F)(F)F)C2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is LDRQXIYHBLWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20-8-11(7-19-20)4-6-21-5-2-3-12(9-21)13(22)18-10-14(15,16)17/h7-8,12H,2-6,9-10H2,1H3,(H,18,22).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75494418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).