1-(4-oxopiperidine-1-carbonyl)piperidin-4-one

C11H16N2O3 — CID 162120137

IUPAC1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C11H16N2O3/c14-9-1-5-12(6-2-9)11(16)13-7-3-10(15)4-8-13/h1-8H2
InChIKeyZHHLTILKKGBUCX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.44
Rot. Bonds

About 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one

1-(4-oxopiperidine-1-carbonyl)piperidin-4-one (PubChem CID 162120137) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
PubChem CID162120137
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C11H16N2O3/c14-9-1-5-12(6-2-9)11(16)13-7-3-10(15)4-8-13/h1-8H2
InChIKeyZHHLTILKKGBUCX-UHFFFAOYSA-N
XLogP0.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557
1-acetylpiperidin-4-one;ethane
CID 91328133
ethene;1-(imidazole-1-carbonyl)piperidin-4-one
CID 67569256
4-(4-oxopiperidine-1-carbonyl)benzoic acid
CID 2757374
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
1-propanoylazepan-4-one
CID 18675736
4-oxopiperidine-1-carboximidamide
CID 19089226
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one?
The IUPAC name of 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one (CID 162120137) is 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one is O=C1CCN(C(=O)N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one?
The InChIKey is ZHHLTILKKGBUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-1-5-12(6-2-9)11(16)13-7-3-10(15)4-8-13/h1-8H2.
What are the key properties of 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one?
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopiperidine-1-carbonyl)piperidin-4-one is sourced from PubChem (CID 162120137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).