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

C16H24F2N4O2 — CID 164641918

IUPAC(3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCC[C@H](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)/t13-/m0/s1
InChIKeyZVFINLXHSWYKOV-ZDUSSCGKSA-N
MW342.39 g/mol
LogP2.82
Rot. Bonds4

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

(3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 164641918) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID164641918
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name(3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCC[C@H](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)/t13-/m0/s1
InChIKeyZVFINLXHSWYKOV-ZDUSSCGKSA-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 (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide (CID 164641918) is (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide is O=C(Nc1ccn(CC(F)F)n1)N1CCC[C@H](C2CCOCC2)C1.
What is the InChIKey of (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is ZVFINLXHSWYKOV-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide?
(3R)-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 (3R)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164641918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).