1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide

C16H24F2N4O — CID 138036025

IUPAC1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)C1CCN(CC(F)F)CC1
InChIInChI=1S/C16H24F2N4O/c17-15(18)10-22-7-5-11(6-8-22)16(23)19-9-14-12-3-1-2-4-13(12)20-21-14/h11,15H,1-10H2,(H,19,23)(H,20,21)
InChIKeyBGOCDAPNAODURX-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.88
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 138036025) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
PubChem CID138036025
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)C1CCN(CC(F)F)CC1
InChIInChI=1S/C16H24F2N4O/c17-15(18)10-22-7-5-11(6-8-22)16(23)19-9-14-12-3-1-2-4-13(12)20-21-14/h11,15H,1-10H2,(H,19,23)(H,20,21)
InChIKeyBGOCDAPNAODURX-UHFFFAOYSA-N
XLogP1.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide (CID 138036025) is 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1n[nH]c2c1CCCC2)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BGOCDAPNAODURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c17-15(18)10-22-7-5-11(6-8-22)16(23)19-9-14-12-3-1-2-4-13(12)20-21-14/h11,15H,1-10H2,(H,19,23)(H,20,21).
What are the key properties of 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 138036025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).