1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone

C9H17NO — CID 160982260

IUPAC1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone
SMILESCC[C@@H]1CC[C@@H](C(C)=O)NC1
InChIInChI=1S/C9H17NO/c1-3-8-4-5-9(7(2)11)10-6-8/h8-10H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeySZQZYAYHLGOCNO-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds2

About 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone

1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone (PubChem CID 160982260) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone
PubChem CID160982260
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone
SMILESCC[C@@H]1CC[C@@H](C(C)=O)NC1
InChIInChI=1S/C9H17NO/c1-3-8-4-5-9(7(2)11)10-6-8/h8-10H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeySZQZYAYHLGOCNO-BDAKNGLRSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-4-ethylpyrrolidine-2-carboxamide
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(5R)-5-ethyl-2-methylpiperidine
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5-(hydroxymethyl)piperidine-2-carboxylic acid
CID 18320034
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
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(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
CID 97297925
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
CID 142076983
5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane
CID 58163441
N-[3-[[2-(3,4-dichlorocyclohexyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpiperidine-2-carboxamide
CID 152825323

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone (CID 160982260) is 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone is CC[C@@H]1CC[C@@H](C(C)=O)NC1.
What is the InChIKey of 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone?
The InChIKey is SZQZYAYHLGOCNO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8-4-5-9(7(2)11)10-6-8/h8-10H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone?
1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone is sourced from PubChem (CID 160982260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).