(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one

C15H19NO3 — CID 125450904

IUPAC(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
SMILESCCC(=O)[C@@H]1CCCN(c2ccccc2OC)C1=O
InChIInChI=1S/C15H19NO3/c1-3-13(17)11-7-6-10-16(15(11)18)12-8-4-5-9-14(12)19-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyWSTUXYVTSLCYJO-NSHDSACASA-N
MW261.32 g/mol
LogP2.42
Rot. Bonds4

About (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one

(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one (PubChem CID 125450904) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
PubChem CID125450904
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
SMILESCCC(=O)[C@@H]1CCCN(c2ccccc2OC)C1=O
InChIInChI=1S/C15H19NO3/c1-3-13(17)11-7-6-10-16(15(11)18)12-8-4-5-9-14(12)19-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyWSTUXYVTSLCYJO-NSHDSACASA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755
(3S)-1-(2-bromophenyl)-3-propanoylpiperidin-2-one
CID 125449248
(3S)-1-(2-fluoro-3-methylphenyl)-3-propanoylpiperidin-2-one
CID 125449935
(3R)-1-(4-bromo-2-methylphenyl)-3-propanoylpiperidin-2-one
CID 125450927
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
(3S)-1-(2-bromo-6-fluorophenyl)-3-propanoylpiperidin-2-one
CID 125450220
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
CID 75372113

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one?
The IUPAC name of (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one (CID 125450904) is (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one is CCC(=O)[C@@H]1CCCN(c2ccccc2OC)C1=O.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one?
The InChIKey is WSTUXYVTSLCYJO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-13(17)11-7-6-10-16(15(11)18)12-8-4-5-9-14(12)19-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one?
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one is sourced from PubChem (CID 125450904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).