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

C20H35Cl2N5O — CID 119874118

IUPAC3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCCCC1c1nnc2n1CCCC2)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-15(16-8-10-21-11-9-16)14-19(26)24-12-4-2-6-17(24)20-23-22-18-7-3-5-13-25(18)20;;/h15-17,21H,2-14H2,1H3;2*1H
InChIKeyKRCGLQOJDVRHSR-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.54
Rot. Bonds4

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

3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119874118) has the molecular formula C20H35Cl2N5O and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID119874118
Molecular FormulaC20H35Cl2N5O
Molecular Weight432.44 g/mol
Exact Mass431.22
IUPAC Name3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCCCC1c1nnc2n1CCCC2)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-15(16-8-10-21-11-9-16)14-19(26)24-12-4-2-6-17(24)20-23-22-18-7-3-5-13-25(18)20;;/h15-17,21H,2-14H2,1H3;2*1H
InChIKeyKRCGLQOJDVRHSR-UHFFFAOYSA-N
XLogP3.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 119874123
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119695966
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
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
N-methyl-N-[2-oxo-2-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethyl]acetamide
CID 94098662
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one
CID 119874097
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119721910
2-(6-methyl-3-pyridinyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 56817506
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119733999
2-cyclopent-2-en-1-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51308003

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 119874118) is 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(CC(=O)N1CCCCC1c1nnc2n1CCCC2)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is KRCGLQOJDVRHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.2ClH/c1-15(16-8-10-21-11-9-16)14-19(26)24-12-4-2-6-17(24)20-23-22-18-7-3-5-13-25(18)20;;/h15-17,21H,2-14H2,1H3;2*1H.
What are the key properties of 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119874118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).