(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid

C20H22N2O6 — CID 164691958

IUPAC(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1
InChIInChI=1S/C20H22N2O6/c1-21-9-7-16(24)18(28-12-13-5-3-2-4-6-13)17(21)19(25)22-10-8-15(23)14(11-22)20(26)27/h2-7,9,14-15,23H,8,10-12H2,1H3,(H,26,27)/t14-,15+/m1/s1
InChIKeyCIVAACTYMLPBGH-CABCVRRESA-N
MW386.40 g/mol
LogP0.87
Rot. Bonds5

About (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 164691958) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID164691958
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1
InChIInChI=1S/C20H22N2O6/c1-21-9-7-16(24)18(28-12-13-5-3-2-4-6-13)17(21)19(25)22-10-8-15(23)14(11-22)20(26)27/h2-7,9,14-15,23H,8,10-12H2,1H3,(H,26,27)/t14-,15+/m1/s1
InChIKeyCIVAACTYMLPBGH-CABCVRRESA-N
XLogP0.87
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
CID 156584833
1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162632752
1-methyl-3-phenylmethoxy-2-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162630251
1-methyl-3-phenylmethoxy-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-4-one
CID 157014373
2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one
CID 156583523
9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 162634339
1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
CID 162629624
1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170506152
(3R,4S)-4-hydroxy-1-[2-(2-phenylethoxy)benzoyl]piperidine-3-carboxylic acid
CID 165423477
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156586518
(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 165422453

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 164691958) is (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid is Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1.
What is the InChIKey of (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CIVAACTYMLPBGH-CABCVRRESA-N. The full InChI is InChI=1S/C20H22N2O6/c1-21-9-7-16(24)18(28-12-13-5-3-2-4-6-13)17(21)19(25)22-10-8-15(23)14(11-22)20(26)27/h2-7,9,14-15,23H,8,10-12H2,1H3,(H,26,27)/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 164691958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).