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

C16H27N3O3 — CID 20590487

IUPAC3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1
InChIInChI=1S/C16H27N3O3/c1-17-7-4-13(5-8-17)19-6-2-3-12(16(19)22)9-15(21)18-10-14(20)11-18/h12-14,20H,2-11H2,1H3
InChIKeyHNJJJCGAOCGQHB-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.09
Rot. Bonds3

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

3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (PubChem CID 20590487) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
PubChem CID20590487
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1
InChIInChI=1S/C16H27N3O3/c1-17-7-4-13(5-8-17)19-6-2-3-12(16(19)22)9-15(21)18-10-14(20)11-18/h12-14,20H,2-11H2,1H3
InChIKeyHNJJJCGAOCGQHB-UHFFFAOYSA-N
XLogP-0.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(1-Acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54409015
N-(2-hydroxyethyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 141952767
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
1-(1-Ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54511977
2-Cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 86283577
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxypropyl)-N-propan-2-ylpropanamide
CID 109904984

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The IUPAC name of 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (CID 20590487) is 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The canonical SMILES for 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is CN1CCC(N2CCCC(CC(=O)N3CC(O)C3)C2=O)CC1.
What is the InChIKey of 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The InChIKey is HNJJJCGAOCGQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-17-7-4-13(5-8-17)19-6-2-3-12(16(19)22)9-15(21)18-10-14(20)11-18/h12-14,20H,2-11H2,1H3.
What are the key properties of 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one has a molecular weight of 309.41 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 20590487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).