[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone

C17H20N2O3 — CID 133124655

IUPAC[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](O)[C@H](O)C3)c2c1
InChIInChI=1S/C17H20N2O3/c1-10-3-4-14-12(7-10)13(8-11(2)18-14)17(22)19-6-5-15(20)16(21)9-19/h3-4,7-8,15-16,20-21H,5-6,9H2,1-2H3/t15-,16-/m1/s1
InChIKeyJYWHNVPERQUSEV-HZPDHXFCSA-N
MW300.36 g/mol
LogP1.42
Rot. Bonds1

About [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone (PubChem CID 133124655) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
PubChem CID133124655
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](O)[C@H](O)C3)c2c1
InChIInChI=1S/C17H20N2O3/c1-10-3-4-14-12(7-10)13(8-11(2)18-14)17(22)19-6-5-15(20)16(21)9-19/h3-4,7-8,15-16,20-21H,5-6,9H2,1-2H3/t15-,16-/m1/s1
InChIKeyJYWHNVPERQUSEV-HZPDHXFCSA-N
XLogP1.42
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(2,6-dimethylquinolin-4-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
CID 70781341
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 70768563

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone?
The IUPAC name of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone (CID 133124655) is [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone is Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H](O)[C@H](O)C3)c2c1.
What is the InChIKey of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone?
The InChIKey is JYWHNVPERQUSEV-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-3-4-14-12(7-10)13(8-11(2)18-14)17(22)19-6-5-15(20)16(21)9-19/h3-4,7-8,15-16,20-21H,5-6,9H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone?
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone is sourced from PubChem (CID 133124655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).