1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one

C13H22N2O2 — CID 43083770

IUPAC1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-11(14-9-5-12(16)6-10-14)13(17)15-7-3-2-4-8-15/h11H,2-10H2,1H3
InChIKeyGGNGTGCHICWTGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds2

About 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one

1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one (PubChem CID 43083770) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
PubChem CID43083770
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-11(14-9-5-12(16)6-10-14)13(17)15-7-3-2-4-8-15/h11H,2-10H2,1H3
InChIKeyGGNGTGCHICWTGA-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-one
CID 82042055
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
2-(4-hydroxyimino-3-methylpiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 104930925
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
CID 134062732

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one?
The IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one (CID 43083770) is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one?
The canonical SMILES for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one is CC(C(=O)N1CCCCC1)N1CCC(=O)CC1.
What is the InChIKey of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one?
The InChIKey is GGNGTGCHICWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(14-9-5-12(16)6-10-14)13(17)15-7-3-2-4-8-15/h11H,2-10H2,1H3.
What are the key properties of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one?
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one is sourced from PubChem (CID 43083770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).