1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone

C8H15NO — CID 178194792

IUPAC1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CNC[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-8(7(2)10)5-9-4-6/h6,8-9H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyAOTHQWHKUBLAFF-SVRRBLITSA-N
MW141.21 g/mol
LogP0.82
Rot. Bonds1

About 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone

1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone (PubChem CID 178194792) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
PubChem CID178194792
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CNC[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-8(7(2)10)5-9-4-6/h6,8-9H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyAOTHQWHKUBLAFF-SVRRBLITSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylpiperidin-3-yl)prop-2-yn-1-one
CID 130942510
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
1-(5-methylpiperidin-3-yl)propan-1-one
CID 130940115
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
cyclopentyl-(5-methylpiperidin-3-yl)methanone
CID 130804308
azane;3,5-dimethylpiperidine
CID 23174858
(5R)-3-but-1-en-2-yl-5-methylpiperidine
CID 170450010
(5-methylpiperidin-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372244
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone
CID 81116250
1-(5-methylpyrrolidin-3-yl)ethanone;propane
CID 142600137
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone?
The IUPAC name of 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone (CID 178194792) is 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone is CC(=O)[C@@H]1CNC[C@H](C)C1.
What is the InChIKey of 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone?
The InChIKey is AOTHQWHKUBLAFF-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-8(7(2)10)5-9-4-6/h6,8-9H,3-5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone?
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone is sourced from PubChem (CID 178194792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).