N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

C14H19F3N4O — CID 127597340

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)10-4-2-6-21(8-10)13(22)19-11-5-1-3-9-7-18-20-12(9)11/h7,10-11H,1-6,8H2,(H,18,20)(H,19,22)
InChIKeyXLUDRAIDWGOKOJ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.77
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 127597340) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID127597340
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)10-4-2-6-21(8-10)13(22)19-11-5-1-3-9-7-18-20-12(9)11/h7,10-11H,1-6,8H2,(H,18,20)(H,19,22)
InChIKeyXLUDRAIDWGOKOJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 127597340) is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(NC1CCCc2cn[nH]c21)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is XLUDRAIDWGOKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)10-4-2-6-21(8-10)13(22)19-11-5-1-3-9-7-18-20-12(9)11/h7,10-11H,1-6,8H2,(H,18,20)(H,19,22).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 127597340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).