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

C16H23F3N4O — CID 138036004

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)10-23-7-3-4-11(9-23)15(24)20-8-14-12-5-1-2-6-13(12)21-22-14/h11H,1-10H2,(H,20,24)(H,21,22)
InChIKeyHYLCWRWHNVHLFO-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.18
Rot. Bonds4

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

N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 138036004) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID138036004
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)10-23-7-3-4-11(9-23)15(24)20-8-14-12-5-1-2-6-13(12)21-22-14/h11H,1-10H2,(H,20,24)(H,21,22)
InChIKeyHYLCWRWHNVHLFO-UHFFFAOYSA-N
XLogP2.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 138036004) is N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCc1n[nH]c2c1CCCC2)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HYLCWRWHNVHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)10-23-7-3-4-11(9-23)15(24)20-8-14-12-5-1-2-6-13(12)21-22-14/h11H,1-10H2,(H,20,24)(H,21,22).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 138036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).