N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride

C13H16ClFN4O — CID 119304839

IUPACN-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1n[nH]c2cccc(F)c12)C1CCNCC1
InChIInChI=1S/C13H15FN4O.ClH/c14-9-2-1-3-10-11(9)12(18-17-10)16-13(19)8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H2,16,17,18,19);1H
InChIKeyYYTVVTQTAZJWQQ-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.06
Rot. Bonds2

About N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride

N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119304839) has the molecular formula C13H16ClFN4O and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119304839
Molecular FormulaC13H16ClFN4O
Molecular Weight298.75 g/mol
Exact Mass298.10
IUPAC NameN-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1n[nH]c2cccc(F)c12)C1CCNCC1
InChIInChI=1S/C13H15FN4O.ClH/c14-9-2-1-3-10-11(9)12(18-17-10)16-13(19)8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H2,16,17,18,19);1H
InChIKeyYYTVVTQTAZJWQQ-UHFFFAOYSA-N
XLogP2.06
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride (CID 119304839) is N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1n[nH]c2cccc(F)c12)C1CCNCC1.
What is the InChIKey of N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is YYTVVTQTAZJWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.ClH/c14-9-2-1-3-10-11(9)12(18-17-10)16-13(19)8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H2,16,17,18,19);1H.
What are the key properties of N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride?
N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 298.75 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119304839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).