N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide

C16H24F2N4O2 — CID 136562643

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCCC(C2CCOCC2)C1
InChIInChI=1S/C16H24F2N4O2/c17-14(18)11-22-7-3-15(20-22)19-16(23)21-6-1-2-13(10-21)12-4-8-24-9-5-12/h3,7,12-14H,1-2,4-6,8-11H2,(H,19,20,23)
InChIKeyZVFINLXHSWYKOV-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.82
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 136562643) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID136562643
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCCC(C2CCOCC2)C1
InChIInChI=1S/C16H24F2N4O2/c17-14(18)11-22-7-3-15(20-22)19-16(23)21-6-1-2-13(10-21)12-4-8-24-9-5-12/h3,7,12-14H,1-2,4-6,8-11H2,(H,19,20,23)
InChIKeyZVFINLXHSWYKOV-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide (CID 136562643) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide is O=C(Nc1ccn(CC(F)F)n1)N1CCCC(C2CCOCC2)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is ZVFINLXHSWYKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c17-14(18)11-22-7-3-15(20-22)19-16(23)21-6-1-2-13(10-21)12-4-8-24-9-5-12/h3,7,12-14H,1-2,4-6,8-11H2,(H,19,20,23).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136562643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).