(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

C18H26N6O — CID 83274022

IUPAC(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
SMILESCc1cccc2nnc(N3CCCC(C(=O)N4CCN(C)CC4)C3)n12
InChIInChI=1S/C18H26N6O/c1-14-5-3-7-16-19-20-18(24(14)16)23-8-4-6-15(13-23)17(25)22-11-9-21(2)10-12-22/h3,5,7,15H,4,6,8-13H2,1-2H3
InChIKeyGDCIRORYJMJBOG-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.03
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (PubChem CID 83274022) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
PubChem CID83274022
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
SMILESCc1cccc2nnc(N3CCCC(C(=O)N4CCN(C)CC4)C3)n12
InChIInChI=1S/C18H26N6O/c1-14-5-3-7-16-19-20-18(24(14)16)23-8-4-6-15(13-23)17(25)22-11-9-21(2)10-12-22/h3,5,7,15H,4,6,8-13H2,1-2H3
InChIKeyGDCIRORYJMJBOG-UHFFFAOYSA-N
XLogP1.03
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (CID 83274022) is (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is Cc1cccc2nnc(N3CCCC(C(=O)N4CCN(C)CC4)C3)n12.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?
The InChIKey is GDCIRORYJMJBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-5-3-7-16-19-20-18(24(14)16)23-8-4-6-15(13-23)17(25)22-11-9-21(2)10-12-22/h3,5,7,15H,4,6,8-13H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone has a molecular weight of 342.45 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 83274022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).