N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C16H28Cl2N6O — CID 119857978

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN2CCCCC12)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H26N6O.2ClH/c23-16(18-13-6-10-21-9-2-1-3-15(13)21)14-11-22(20-19-14)12-4-7-17-8-5-12;;/h11-13,15,17H,1-10H2,(H,18,23);2*1H
InChIKeyGTOWEZAIFAGGFZ-UHFFFAOYSA-N
MW391.35 g/mol
LogP1.40
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119857978) has the molecular formula C16H28Cl2N6O and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119857978
Molecular FormulaC16H28Cl2N6O
Molecular Weight391.35 g/mol
Exact Mass390.17
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN2CCCCC12)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H26N6O.2ClH/c23-16(18-13-6-10-21-9-2-1-3-15(13)21)14-11-22(20-19-14)12-4-7-17-8-5-12;;/h11-13,15,17H,1-10H2,(H,18,23);2*1H
InChIKeyGTOWEZAIFAGGFZ-UHFFFAOYSA-N
XLogP1.40
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
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N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
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CID 63284768
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
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N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119857978) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN2CCCCC12)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is GTOWEZAIFAGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O.2ClH/c23-16(18-13-6-10-21-9-2-1-3-15(13)21)14-11-22(20-19-14)12-4-7-17-8-5-12;;/h11-13,15,17H,1-10H2,(H,18,23);2*1H.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 391.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119857978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).