1-(3-oxobutyl)piperidin-4-one

C9H15NO2 — CID 58101921

IUPAC1-(3-oxobutyl)piperidin-4-one
SMILESCC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h2-7H2,1H3
InChIKeyDCMSDKWABXQCNY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.63
Rot. Bonds3

About 1-(3-oxobutyl)piperidin-4-one

1-(3-oxobutyl)piperidin-4-one (PubChem CID 58101921) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-oxobutyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-oxobutyl)piperidin-4-one
PubChem CID58101921
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-oxobutyl)piperidin-4-one
SMILESCC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h2-7H2,1H3
InChIKeyDCMSDKWABXQCNY-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-4-piperidone
CID 107311
1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
1-(Isopropyl)-4-piperidone
CID 79313
1,1-Dimethyl-4-oxopiperidin-1-ium iodide
CID 11149497
1-tert-Butyl-4-piperidone
CID 73840
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
N-Acetyl-4-piperidone
CID 122563
1-(Piperidin-1-yl)butane-1,3-dione
CID 246774
4-(Piperidin-1-yl)butan-2-one
CID 414358
1,2-Dimethylpiperidin-4-one
CID 12424039

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxobutyl)piperidin-4-one?
The IUPAC name of 1-(3-oxobutyl)piperidin-4-one (CID 58101921) is 1-(3-oxobutyl)piperidin-4-one.
What is the SMILES notation for 1-(3-oxobutyl)piperidin-4-one?
The canonical SMILES for 1-(3-oxobutyl)piperidin-4-one is CC(=O)CCN1CCC(=O)CC1.
What is the InChIKey of 1-(3-oxobutyl)piperidin-4-one?
The InChIKey is DCMSDKWABXQCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)2-5-10-6-3-9(12)4-7-10/h2-7H2,1H3.
What are the key properties of 1-(3-oxobutyl)piperidin-4-one?
1-(3-oxobutyl)piperidin-4-one has a molecular weight of 169.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxobutyl)piperidin-4-one is sourced from PubChem (CID 58101921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).