[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate

C15H17NO4 — CID 162415890

IUPAC[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
SMILESCOc1ccc(CN2C[C@H](OC(C)=O)C=CC2=O)cc1
InChIInChI=1S/C15H17NO4/c1-11(17)20-14-7-8-15(18)16(10-14)9-12-3-5-13(19-2)6-4-12/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyPTDIGOSMRHXJMV-CQSZACIVSA-N
MW275.30 g/mol
LogP1.53
Rot. Bonds4

About [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate

[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate (PubChem CID 162415890) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
PubChem CID162415890
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
SMILESCOc1ccc(CN2C[C@H](OC(C)=O)C=CC2=O)cc1
InChIInChI=1S/C15H17NO4/c1-11(17)20-14-7-8-15(18)16(10-14)9-12-3-5-13(19-2)6-4-12/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyPTDIGOSMRHXJMV-CQSZACIVSA-N
XLogP1.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415715
[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
6-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009677
[2-[(4-methoxyphenyl)methyl]-3-oxo-2-azabicyclo[2.2.1]heptan-6-yl] acetate
CID 14843095
4-acetyl-5-methoxy-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyridin-6-one
CID 59531989
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
[(2R,3S,4S)-1-acetyl-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 170419726
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
6-hydroxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-2-one;hydrochloride
CID 122540096

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate?
The IUPAC name of [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate (CID 162415890) is [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate?
The canonical SMILES for [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate is COc1ccc(CN2C[C@H](OC(C)=O)C=CC2=O)cc1.
What is the InChIKey of [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate?
The InChIKey is PTDIGOSMRHXJMV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11(17)20-14-7-8-15(18)16(10-14)9-12-3-5-13(19-2)6-4-12/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate?
[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate has a molecular weight of 275.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate is sourced from PubChem (CID 162415890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).