3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

C16H25N3O3 — CID 71870607

IUPAC3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCC1C(C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C16H25N3O3/c1-4-6-13-12(2)7-5-9-19(13)15(21)11-18-10-8-14(20)17(3)16(18)22/h8,10,12-13H,4-7,9,11H2,1-3H3
InChIKeyDEJSUEMXYSTDSN-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 71870607) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID71870607
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCC1C(C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C16H25N3O3/c1-4-6-13-12(2)7-5-9-19(13)15(21)11-18-10-8-14(20)17(3)16(18)22/h8,10,12-13H,4-7,9,11H2,1-3H3
InChIKeyDEJSUEMXYSTDSN-UHFFFAOYSA-N
XLogP0.97
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione 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

1-[2-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124692158
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119468653
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66062333
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 97024370
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119647142
1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124590048
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325054
1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119564572
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 71870607) is 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is CCCC1C(C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is DEJSUEMXYSTDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-6-13-12(2)7-5-9-19(13)15(21)11-18-10-8-14(20)17(3)16(18)22/h8,10,12-13H,4-7,9,11H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).