1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone

C8H15NO — CID 95735292

IUPAC1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1NCCC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6-4-3-5-9-8(6)7(2)10/h6,8-9H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyQVRPZVLGVSNFDF-POYBYMJQSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds1

About 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone

1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone (PubChem CID 95735292) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
PubChem CID95735292
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1NCCC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6-4-3-5-9-8(6)7(2)10/h6,8-9H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyQVRPZVLGVSNFDF-POYBYMJQSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
N-cyclohexyl-N,3-dimethylpiperidine-2-carboxamide
CID 62339784
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide
CID 130582048
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N,N-bis(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 62339294
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
CID 107071163
N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 114949609
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068050

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone (CID 95735292) is 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone is CC(=O)[C@@H]1NCCC[C@@H]1C.
What is the InChIKey of 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone?
The InChIKey is QVRPZVLGVSNFDF-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-3-5-9-8(6)7(2)10/h6,8-9H,3-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone?
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone is sourced from PubChem (CID 95735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).