3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

C16H23N5 — CID 155507234

IUPAC3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(N3CCC(C4CCNCC4)CC3)nnc2c1
InChIInChI=1S/C16H23N5/c1-2-10-21-15(3-1)18-19-16(21)20-11-6-14(7-12-20)13-4-8-17-9-5-13/h1-3,10,13-14,17H,4-9,11-12H2
InChIKeyQMBCRUUDLBHEGP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.95
Rot. Bonds2

About 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155507234) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155507234
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(N3CCC(C4CCNCC4)CC3)nnc2c1
InChIInChI=1S/C16H23N5/c1-2-10-21-15(3-1)18-19-16(21)20-11-6-14(7-12-20)13-4-8-17-9-5-13/h1-3,10,13-14,17H,4-9,11-12H2
InChIKeyQMBCRUUDLBHEGP-UHFFFAOYSA-N
XLogP1.95
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
CID 162630814
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188426
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 105061340
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 53203046
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 121283686
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 141366766
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203405
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
[(2S)-1-methylpyrrolidin-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808781

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 155507234) is 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(N3CCC(C4CCNCC4)CC3)nnc2c1.
What is the InChIKey of 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QMBCRUUDLBHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-10-21-15(3-1)18-19-16(21)20-11-6-14(7-12-20)13-4-8-17-9-5-13/h1-3,10,13-14,17H,4-9,11-12H2.
What are the key properties of 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 285.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155507234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).