4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine

C19H29N5O — CID 77097111

IUPAC4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
SMILESCC(C)(CN1CCCC(c2nnc3ccccn23)C1)N1CCOCC1
InChIInChI=1S/C19H29N5O/c1-19(2,23-10-12-25-13-11-23)15-22-8-5-6-16(14-22)18-21-20-17-7-3-4-9-24(17)18/h3-4,7,9,16H,5-6,8,10-15H2,1-2H3
InChIKeyGJDHJJMFUQMAGC-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.02
Rot. Bonds4

About 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine

4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine (PubChem CID 77097111) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
PubChem CID77097111
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
SMILESCC(C)(CN1CCCC(c2nnc3ccccn23)C1)N1CCOCC1
InChIInChI=1S/C19H29N5O/c1-19(2,23-10-12-25-13-11-23)15-22-8-5-6-16(14-22)18-21-20-17-7-3-4-9-24(17)18/h3-4,7,9,16H,5-6,8,10-15H2,1-2H3
InChIKeyGJDHJJMFUQMAGC-UHFFFAOYSA-N
XLogP2.02
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 25490105
4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95862544
3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 72915723
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124907243
6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 50969547

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine (CID 77097111) is 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine is CC(C)(CN1CCCC(c2nnc3ccccn23)C1)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The InChIKey is GJDHJJMFUQMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,23-10-12-25-13-11-23)15-22-8-5-6-16(14-22)18-21-20-17-7-3-4-9-24(17)18/h3-4,7,9,16H,5-6,8,10-15H2,1-2H3.
What are the key properties of 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine has a molecular weight of 343.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine is sourced from PubChem (CID 77097111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).