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

C17H25F3N4O2 — CID 128854748

IUPACN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCn1nccc1C1CC(NC(=O)N2CCCC(CC(F)(F)F)C2)CCO1
InChIInChI=1S/C17H25F3N4O2/c1-23-14(4-6-21-23)15-9-13(5-8-26-15)22-16(25)24-7-2-3-12(11-24)10-17(18,19)20/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,22,25)
InChIKeyOLRPJFMIONREHM-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.01
Rot. Bonds3

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

N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 128854748) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID128854748
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC NameN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCn1nccc1C1CC(NC(=O)N2CCCC(CC(F)(F)F)C2)CCO1
InChIInChI=1S/C17H25F3N4O2/c1-23-14(4-6-21-23)15-9-13(5-8-26-15)22-16(25)24-7-2-3-12(11-24)10-17(18,19)20/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,22,25)
InChIKeyOLRPJFMIONREHM-UHFFFAOYSA-N
XLogP3.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 128854748) is N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is Cn1nccc1C1CC(NC(=O)N2CCCC(CC(F)(F)F)C2)CCO1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is OLRPJFMIONREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-23-14(4-6-21-23)15-9-13(5-8-26-15)22-16(25)24-7-2-3-12(11-24)10-17(18,19)20/h4,6,12-13,15H,2-3,5,7-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128854748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).