(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one

C13H17NO2 — CID 177493796

IUPAC(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
SMILESCOc1ccc([C@@H]2CC[C@H](C)C(=O)N2)cc1
InChIInChI=1S/C13H17NO2/c1-9-3-8-12(14-13(9)15)10-4-6-11(16-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H,14,15)/t9-,12-/m0/s1
InChIKeyGVSAJYTYCAHXAD-CABZTGNLSA-N
MW219.28 g/mol
LogP2.28
Rot. Bonds2

About (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one

(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one (PubChem CID 177493796) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
PubChem CID177493796
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
SMILESCOc1ccc([C@@H]2CC[C@H](C)C(=O)N2)cc1
InChIInChI=1S/C13H17NO2/c1-9-3-8-12(14-13(9)15)10-4-6-11(16-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H,14,15)/t9-,12-/m0/s1
InChIKeyGVSAJYTYCAHXAD-CABZTGNLSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
6-(furan-3-yl)-3-methylpiperidin-2-one
CID 130010026
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
CID 132820348
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one?
The IUPAC name of (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one (CID 177493796) is (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one.
What is the SMILES notation for (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one?
The canonical SMILES for (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one is COc1ccc([C@@H]2CC[C@H](C)C(=O)N2)cc1.
What is the InChIKey of (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one?
The InChIKey is GVSAJYTYCAHXAD-CABZTGNLSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-8-12(14-13(9)15)10-4-6-11(16-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H,14,15)/t9-,12-/m0/s1.
What are the key properties of (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one?
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 177493796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).