3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C19H22N2O3 — CID 163306352

IUPAC3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C19H22N2O3/c1-12-10-13(2)20-18(23)17(12)19(24)21-9-8-15(16(22)11-21)14-6-4-3-5-7-14/h3-7,10,15-16,22H,8-9,11H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyONDUVJIDJQJFKX-JKSUJKDBSA-N
MW326.40 g/mol
LogP1.98
Rot. Bonds2

About 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 163306352) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID163306352
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C19H22N2O3/c1-12-10-13(2)20-18(23)17(12)19(24)21-9-8-15(16(22)11-21)14-6-4-3-5-7-14/h3-7,10,15-16,22H,8-9,11H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyONDUVJIDJQJFKX-JKSUJKDBSA-N
XLogP1.98
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 75375735
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 134706311
3-[(3S,4R)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 163312594
4-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 16674823
3-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134696964
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566
4,6-dimethyl-3-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)-1H-pyridin-2-one
CID 70717090
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
2-[acetyl-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 120606347

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 163306352) is 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is ONDUVJIDJQJFKX-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-10-13(2)20-18(23)17(12)19(24)21-9-8-15(16(22)11-21)14-6-4-3-5-7-14/h3-7,10,15-16,22H,8-9,11H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 163306352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).