6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H22N2O4 — CID 155492396

IUPAC6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O4/c22-13-19(11-14-5-2-1-3-6-14)12-21(10-9-16(19)23)18(25)15-7-4-8-17(24)20-15/h1-8,16,22-23H,9-13H2,(H,20,24)/t16-,19+/m1/s1
InChIKeyCOXIUEOBYZEZEI-APWZRJJASA-N
MW342.39 g/mol
LogP0.80
Rot. Bonds4

About 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 155492396) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID155492396
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O4/c22-13-19(11-14-5-2-1-3-6-14)12-21(10-9-16(19)23)18(25)15-7-4-8-17(24)20-15/h1-8,16,22-23H,9-13H2,(H,20,24)/t16-,19+/m1/s1
InChIKeyCOXIUEOBYZEZEI-APWZRJJASA-N
XLogP0.80
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 155500037
5-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 155494221
[(3R,4S)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 134709025
3-(1H-benzimidazol-2-yl)-1-[(3R,4S)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 134700026
6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 155506669
(4,6-dimethylpyrimidin-5-yl)-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 155504478
4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 155910949
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 157017240
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155501677
6-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 110102771

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 155492396) is 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1.
What is the InChIKey of 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is COXIUEOBYZEZEI-APWZRJJASA-N. The full InChI is InChI=1S/C19H22N2O4/c22-13-19(11-14-5-2-1-3-6-14)12-21(10-9-16(19)23)18(25)15-7-4-8-17(24)20-15/h1-8,16,22-23H,9-13H2,(H,20,24)/t16-,19+/m1/s1.
What are the key properties of 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 342.39 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155492396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).