ethane;(4S)-4-(ethoxymethyl)piperidin-2-one

C12H27NO2 — CID 145338236

IUPACethane;(4S)-4-(ethoxymethyl)piperidin-2-one
SMILESCC.CC.CCOC[C@H]1CCNC(=O)C1
InChIInChI=1S/C8H15NO2.2C2H6/c1-2-11-6-7-3-4-9-8(10)5-7;2*1-2/h7H,2-6H2,1H3,(H,9,10);2*1-2H3/t7-;;/m0../s1
InChIKeyQDONUFBSJQFZSD-KLXURFKVSA-N
MW217.35 g/mol
LogP2.60
Rot. Bonds3

About ethane;(4S)-4-(ethoxymethyl)piperidin-2-one

ethane;(4S)-4-(ethoxymethyl)piperidin-2-one (PubChem CID 145338236) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is ethane;(4S)-4-(ethoxymethyl)piperidin-2-one.

Molecular Properties

Compound Nameethane;(4S)-4-(ethoxymethyl)piperidin-2-one
PubChem CID145338236
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Nameethane;(4S)-4-(ethoxymethyl)piperidin-2-one
SMILESCC.CC.CCOC[C@H]1CCNC(=O)C1
InChIInChI=1S/C8H15NO2.2C2H6/c1-2-11-6-7-3-4-9-8(10)5-7;2*1-2/h7H,2-6H2,1H3,(H,9,10);2*1-2H3/t7-;;/m0../s1
InChIKeyQDONUFBSJQFZSD-KLXURFKVSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 85377811
4-(2,2-dimethylpropyl)piperidin-2-one
CID 76727513
4-(2-hydroxyethyl)piperidin-2-one
CID 70203271
4-methylpiperidin-2-one;propane
CID 142565813
5-aminoazepan-2-one;ethane
CID 142912069
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
CID 117095321
methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate
CID 117054270
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458
4-(2-oxopiperidin-4-yl)piperidin-2-one
CID 66803450
3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
CID 117095209

Frequently Asked Questions

What is the IUPAC name of ethane;(4S)-4-(ethoxymethyl)piperidin-2-one?
The IUPAC name of ethane;(4S)-4-(ethoxymethyl)piperidin-2-one (CID 145338236) is ethane;(4S)-4-(ethoxymethyl)piperidin-2-one.
What is the SMILES notation for ethane;(4S)-4-(ethoxymethyl)piperidin-2-one?
The canonical SMILES for ethane;(4S)-4-(ethoxymethyl)piperidin-2-one is CC.CC.CCOC[C@H]1CCNC(=O)C1.
What is the InChIKey of ethane;(4S)-4-(ethoxymethyl)piperidin-2-one?
The InChIKey is QDONUFBSJQFZSD-KLXURFKVSA-N. The full InChI is InChI=1S/C8H15NO2.2C2H6/c1-2-11-6-7-3-4-9-8(10)5-7;2*1-2/h7H,2-6H2,1H3,(H,9,10);2*1-2H3/t7-;;/m0../s1.
What are the key properties of ethane;(4S)-4-(ethoxymethyl)piperidin-2-one?
ethane;(4S)-4-(ethoxymethyl)piperidin-2-one has a molecular weight of 217.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4S)-4-(ethoxymethyl)piperidin-2-one is sourced from PubChem (CID 145338236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).