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

C19H33N3O3 — CID 20590489

IUPAC3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCOC1CCN(C(=O)CC2CCCN(C3CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C19H33N3O3/c1-20-10-5-16(6-11-20)22-9-3-4-15(19(22)24)14-18(23)21-12-7-17(25-2)8-13-21/h15-17H,3-14H2,1-2H3
InChIKeyPPSBFCJSQINBGP-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.35
Rot. Bonds4

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

3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (PubChem CID 20590489) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
PubChem CID20590489
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCOC1CCN(C(=O)CC2CCCN(C3CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C19H33N3O3/c1-20-10-5-16(6-11-20)22-9-3-4-15(19(22)24)14-18(23)21-12-7-17(25-2)8-13-21/h15-17H,3-14H2,1-2H3
InChIKeyPPSBFCJSQINBGP-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-methoxypiperidin-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
1-(1-Methylpiperidin-4-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-2-one
CID 20590481
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590488
N,N-dimethyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 53681180
1-(1-Acetylpiperidin-4-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-2-one
CID 54132038
2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide
CID 54255688
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-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54540525
N,N-dimethylmethanamine;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetaldehyde
CID 141952742
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
N-(3-methoxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 146887789
[4-[(4-Methoxypiperidin-1-yl)methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 167018681

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one (CID 20590489) is 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The canonical SMILES for 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is COC1CCN(C(=O)CC2CCCN(C3CCN(C)CC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The InChIKey is PPSBFCJSQINBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-20-10-5-16(6-11-20)22-9-3-4-15(19(22)24)14-18(23)21-12-7-17(25-2)8-13-21/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one?
3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one has a molecular weight of 351.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 20590489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).