3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C18H30N4O2 — CID 46990107

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(=O)n1
InChIInChI=1S/C18H30N4O2/c1-12-9-13(2)22(16(24)19-12)8-7-15(23)20-14-10-17(3,4)21-18(5,6)11-14/h9,14,21H,7-8,10-11H2,1-6H3,(H,20,23)
InChIKeyPBPHMJHTWPASPT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.68
Rot. Bonds4

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 46990107) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID46990107
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(=O)n1
InChIInChI=1S/C18H30N4O2/c1-12-9-13(2)22(16(24)19-12)8-7-15(23)20-14-10-17(3,4)21-18(5,6)11-14/h9,14,21H,7-8,10-11H2,1-6H3,(H,20,23)
InChIKeyPBPHMJHTWPASPT-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide with MolForge

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Related Compounds

US11787802, Example 23
CID 169489604
US11787802, Example 29
CID 169489608
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56865748
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
1-(2-{[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]amino}ethyl)piperidine-3-carboxamide
CID 46993557
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]piperidine-3-carboxamide
CID 46995964
(3S)-1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
CID 52393213
(3R)-1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
CID 52393215
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 52396721
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 52396723
1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72844521

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 46990107) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is Cc1cc(C)n(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is PBPHMJHTWPASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12-9-13(2)22(16(24)19-12)8-7-15(23)20-14-10-17(3,4)21-18(5,6)11-14/h9,14,21H,7-8,10-11H2,1-6H3,(H,20,23).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 46990107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).