3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one

C16H27N5O2 — CID 71851287

IUPAC3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
SMILESCOCc1nc2n(n1)CCCC2NC1CCCN(C(C)C)C1=O
InChIInChI=1S/C16H27N5O2/c1-11(2)20-8-4-7-13(16(20)22)17-12-6-5-9-21-15(12)18-14(19-21)10-23-3/h11-13,17H,4-10H2,1-3H3
InChIKeyCORMEXFIUXNINV-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.25
Rot. Bonds5

About 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one

3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one (PubChem CID 71851287) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
PubChem CID71851287
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
SMILESCOCc1nc2n(n1)CCCC2NC1CCCN(C(C)C)C1=O
InChIInChI=1S/C16H27N5O2/c1-11(2)20-8-4-7-13(16(20)22)17-12-6-5-9-21-15(12)18-14(19-21)10-23-3/h11-13,17H,4-10H2,1-3H3
InChIKeyCORMEXFIUXNINV-UHFFFAOYSA-N
XLogP1.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one with MolForge

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Related Compounds

(3R*,5S*)-N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72854713
1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea
CID 134788553
2-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine-4-carboxamide
CID 121516622
(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
CID 164626929
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione
CID 91956974
2-[[N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109730502
2-[[N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109730503
2-[[ethylamino-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109731096
2-[[ethylamino-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109731097
4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954928
4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 120954929
[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120963351

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one (CID 71851287) is 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one is COCc1nc2n(n1)CCCC2NC1CCCN(C(C)C)C1=O.
What is the InChIKey of 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one?
The InChIKey is CORMEXFIUXNINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)20-8-4-7-13(16(20)22)17-12-6-5-9-21-15(12)18-14(19-21)10-23-3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one?
3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one has a molecular weight of 321.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 71851287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).