1-(1-acetylpiperidin-2-yl)propan-1-one

C10H17NO2 — CID 45119530

IUPAC1-(1-acetylpiperidin-2-yl)propan-1-one
SMILESCCC(=O)C1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO2/c1-3-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3
InChIKeyYKSJOBBDEJMWQV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds2

About 1-(1-acetylpiperidin-2-yl)propan-1-one

1-(1-acetylpiperidin-2-yl)propan-1-one (PubChem CID 45119530) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-2-yl)propan-1-one
PubChem CID45119530
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(1-acetylpiperidin-2-yl)propan-1-one
SMILESCCC(=O)C1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO2/c1-3-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3
InChIKeyYKSJOBBDEJMWQV-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-(2-propanoylpyrrolidin-1-yl)butane-1,2-dione
CID 20658470
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one
CID 91649026
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-2-yl)propan-1-one?
The IUPAC name of 1-(1-acetylpiperidin-2-yl)propan-1-one (CID 45119530) is 1-(1-acetylpiperidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-acetylpiperidin-2-yl)propan-1-one?
The canonical SMILES for 1-(1-acetylpiperidin-2-yl)propan-1-one is CCC(=O)C1CCCCN1C(C)=O.
What is the InChIKey of 1-(1-acetylpiperidin-2-yl)propan-1-one?
The InChIKey is YKSJOBBDEJMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-2-yl)propan-1-one?
1-(1-acetylpiperidin-2-yl)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-2-yl)propan-1-one is sourced from PubChem (CID 45119530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).