1-(1-acetylpiperidin-4-yl)propan-2-one

C10H17NO2 — CID 20685211

IUPAC1-(1-acetylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10-3-5-11(6-4-10)9(2)13/h10H,3-7H2,1-2H3
InChIKeyDFTKMDGUOLSJPA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)propan-2-one

1-(1-acetylpiperidin-4-yl)propan-2-one (PubChem CID 20685211) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)propan-2-one
PubChem CID20685211
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(1-acetylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10-3-5-11(6-4-10)9(2)13/h10H,3-7H2,1-2H3
InChIKeyDFTKMDGUOLSJPA-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

iodo 2-(1-acetylpiperidin-4-yl)acetate
CID 170699627
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-cyclohexadecylpropan-2-one
CID 175123721
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
carbonobromidimidoyl 4-(2-oxopropyl)piperidine-1-carboximidothioate
CID 167608453

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)propan-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)propan-2-one (CID 20685211) is 1-(1-acetylpiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)propan-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)propan-2-one is CC(=O)CC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)propan-2-one?
The InChIKey is DFTKMDGUOLSJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)7-10-3-5-11(6-4-10)9(2)13/h10H,3-7H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)propan-2-one?
1-(1-acetylpiperidin-4-yl)propan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)propan-2-one is sourced from PubChem (CID 20685211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).