1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C21H29N3O3 — CID 70725070

IUPAC1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cnc12
InChIInChI=1S/C21H29N3O3/c1-15-4-3-8-24-18(13-22-20(15)24)12-19(25)23-9-7-21(26,16(2)14-23)17-5-10-27-11-6-17/h3-4,8,13,16-17,26H,5-7,9-12,14H2,1-2H3/t16-,21+/m1/s1
InChIKeyGOAFNVWROJROLT-IERDGZPVSA-N
MW371.48 g/mol
LogP2.21
Rot. Bonds3

About 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 70725070) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID70725070
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cnc12
InChIInChI=1S/C21H29N3O3/c1-15-4-3-8-24-18(13-22-20(15)24)12-19(25)23-9-7-21(26,16(2)14-23)17-5-10-27-11-6-17/h3-4,8,13,16-17,26H,5-7,9-12,14H2,1-2H3/t16-,21+/m1/s1
InChIKeyGOAFNVWROJROLT-IERDGZPVSA-N
XLogP2.21
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758
2-(4-fluoro-3-methylphenyl)-1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]ethanone
CID 156605299
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 56749622
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 156603880
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 74245617
1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171909665
3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 70782779

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 70725070) is 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1cccn2c(CC(=O)N3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cnc12.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is GOAFNVWROJROLT-IERDGZPVSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-4-3-8-24-18(13-22-20(15)24)12-19(25)23-9-7-21(26,16(2)14-23)17-5-10-27-11-6-17/h3-4,8,13,16-17,26H,5-7,9-12,14H2,1-2H3/t16-,21+/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 371.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 70725070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).