(4S,6R)-6-ethyl-4-methylpiperidin-2-one

C8H15NO — CID 129374994

IUPAC(4S,6R)-6-ethyl-4-methylpiperidin-2-one
SMILESCC[C@@H]1C[C@H](C)CC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-7-4-6(2)5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyDOZURBUGSBAMBY-NKWVEPMBSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds1

About (4S,6R)-6-ethyl-4-methylpiperidin-2-one

(4S,6R)-6-ethyl-4-methylpiperidin-2-one (PubChem CID 129374994) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S,6R)-6-ethyl-4-methylpiperidin-2-one.

Molecular Properties

Compound Name(4S,6R)-6-ethyl-4-methylpiperidin-2-one
PubChem CID129374994
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S,6R)-6-ethyl-4-methylpiperidin-2-one
SMILESCC[C@@H]1C[C@H](C)CC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-7-4-6(2)5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyDOZURBUGSBAMBY-NKWVEPMBSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde
CID 78156492
(4S)-6-iodo-4-methylpiperidin-2-one
CID 170011470
ethane;2-ethyl-4-methylpiperidine
CID 142379207
(2S,6S)-2,6-diethyl-4-methylpiperidine
CID 89305849
4-methyl-6-oxopiperidine-2-carboxamide
CID 130643778
(4S)-4-propylazetidin-2-one
CID 18603540
4-methylpiperidin-2-one;propane
CID 142565813
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
4-(fluoromethyl)azetidin-2-one
CID 54536465
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
2-ethyl-4-methylcyclopentan-1-one
CID 12501280

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-ethyl-4-methylpiperidin-2-one?
The IUPAC name of (4S,6R)-6-ethyl-4-methylpiperidin-2-one (CID 129374994) is (4S,6R)-6-ethyl-4-methylpiperidin-2-one.
What is the SMILES notation for (4S,6R)-6-ethyl-4-methylpiperidin-2-one?
The canonical SMILES for (4S,6R)-6-ethyl-4-methylpiperidin-2-one is CC[C@@H]1C[C@H](C)CC(=O)N1.
What is the InChIKey of (4S,6R)-6-ethyl-4-methylpiperidin-2-one?
The InChIKey is DOZURBUGSBAMBY-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-4-6(2)5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of (4S,6R)-6-ethyl-4-methylpiperidin-2-one?
(4S,6R)-6-ethyl-4-methylpiperidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-ethyl-4-methylpiperidin-2-one is sourced from PubChem (CID 129374994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).