piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

C16H26N6O — CID 134789046

IUPACpiperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C16H26N6O/c23-16(20-7-2-1-3-8-20)21-9-4-5-13(12-21)15-19-18-14-11-17-6-10-22(14)15/h13,17H,1-12H2
InChIKeyHWLVMUCJQOPOEJ-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.17
Rot. Bonds1

About piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 134789046) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID134789046
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Namepiperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C16H26N6O/c23-16(20-7-2-1-3-8-20)21-9-4-5-13(12-21)15-19-18-14-11-17-6-10-22(14)15/h13,17H,1-12H2
InChIKeyHWLVMUCJQOPOEJ-UHFFFAOYSA-N
XLogP1.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
tert-Butyl 3-(piperidin-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 110246156
Sdccgsbi-0662590.P001
CID 118740478
N-propan-2-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740588
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
Piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone
CID 118740592
morpholin-4-yl-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134789067
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
N-cyclohexyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134790849
7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134793426

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 134789046) is piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(N1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1.
What is the InChIKey of piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is HWLVMUCJQOPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c23-16(20-7-2-1-3-8-20)21-9-4-5-13(12-21)15-19-18-14-11-17-6-10-22(14)15/h13,17H,1-12H2.
What are the key properties of piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 318.43 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134789046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).