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

C18H31N3O3 — CID 20590488

IUPAC3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-19-9-4-15(5-10-19)21-8-2-3-14(18(21)24)13-17(23)20-11-6-16(22)7-12-20/h14-16,22H,2-13H2,1H3
InChIKeyQEKKHFUHNSHHMJ-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.69
Rot. Bonds3

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

3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (PubChem CID 20590488) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
PubChem CID20590488
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-19-9-4-15(5-10-19)21-8-2-3-14(18(21)24)13-17(23)20-11-6-16(22)7-12-20/h14-16,22H,2-13H2,1H3
InChIKeyQEKKHFUHNSHHMJ-UHFFFAOYSA-N
XLogP0.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 171359734
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590487
3-[2-(4-Methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590489
1-(1-Acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54312875
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 54394444
1-(1-Acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54409015
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
N-(3-hydroxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 142184370
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081
N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 163790814
1-[(3R,4S)-3-ethyl-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]hexan-1-one
CID 7673421

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (CID 20590488) is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is CN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The InChIKey is QEKKHFUHNSHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-19-9-4-15(5-10-19)21-8-2-3-14(18(21)24)13-17(23)20-11-6-16(22)7-12-20/h14-16,22H,2-13H2,1H3.
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 20590488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).