1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one

C17H27N3O4 — CID 54409015

IUPAC1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1
InChIInChI=1S/C17H27N3O4/c1-12(21)18-7-4-14(5-8-18)20-6-2-3-13(17(20)24)9-16(23)19-10-15(22)11-19/h13-15,22H,2-11H2,1H3
InChIKeyVSUDNAHBVHMUJG-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.17
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one

1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 54409015) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID54409015
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1
InChIInChI=1S/C17H27N3O4/c1-12(21)18-7-4-14(5-8-18)20-6-2-3-13(17(20)24)9-16(23)19-10-15(22)11-19/h13-15,22H,2-11H2,1H3
InChIKeyVSUDNAHBVHMUJG-UHFFFAOYSA-N
XLogP-0.17
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one with MolForge

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Related Compounds

3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590487
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590488
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 53801312
2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 54245204
1-(1-Acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54312875
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
Ethane;3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 141952786
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-[1-(methylamino)pentan-3-yl]piperidin-2-one
CID 141952837
2-Cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 86283577

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 54409015) is 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one is CC(=O)N1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is VSUDNAHBVHMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(21)18-7-4-14(5-8-18)20-6-2-3-13(17(20)24)9-16(23)19-10-15(22)11-19/h13-15,22H,2-11H2,1H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 337.42 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 54409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).