1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C18H32Cl2N6O — CID 120982605

IUPAC1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1c1nnc2n1CCCC2)N1CCNCC1
InChIInChI=1S/C18H30N6O.2ClH/c25-17(23-13-8-19-9-14-23)7-12-22-10-3-1-5-15(22)18-21-20-16-6-2-4-11-24(16)18;;/h15,19H,1-14H2;2*1H
InChIKeyWUIMTYCPXZCJLK-UHFFFAOYSA-N
MW419.40 g/mol
LogP1.81
Rot. Bonds4

About 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride

1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 120982605) has the molecular formula C18H32Cl2N6O and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID120982605
Molecular FormulaC18H32Cl2N6O
Molecular Weight419.40 g/mol
Exact Mass418.20
IUPAC Name1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1c1nnc2n1CCCC2)N1CCNCC1
InChIInChI=1S/C18H30N6O.2ClH/c25-17(23-13-8-19-9-14-23)7-12-22-10-3-1-5-15(22)18-21-20-16-6-2-4-11-24(16)18;;/h15,19H,1-14H2;2*1H
InChIKeyWUIMTYCPXZCJLK-UHFFFAOYSA-N
XLogP1.81
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 120982605) is 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCCCC1c1nnc2n1CCCC2)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is WUIMTYCPXZCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O.2ClH/c25-17(23-13-8-19-9-14-23)7-12-22-10-3-1-5-15(22)18-21-20-16-6-2-4-11-24(16)18;;/h15,19H,1-14H2;2*1H.
What are the key properties of 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 419.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 120982605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).