3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C17H28N4O3 — CID 45354289

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H28N4O3/c1-10-12(14(23)20-15(24)18-10)6-7-13(22)19-11-8-16(2,3)21-17(4,5)9-11/h11,21H,6-9H2,1-5H3,(H,19,22)(H2,18,20,23,24)
InChIKeyQQJSTAHBCDIBIA-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.73
Rot. Bonds4

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 45354289) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID45354289
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H28N4O3/c1-10-12(14(23)20-15(24)18-10)6-7-13(22)19-11-8-16(2,3)21-17(4,5)9-11/h11,21H,6-9H2,1-5H3,(H,19,22)(H2,18,20,23,24)
InChIKeyQQJSTAHBCDIBIA-UHFFFAOYSA-N
XLogP0.73
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 45354289) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is QQJSTAHBCDIBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-10-12(14(23)20-15(24)18-10)6-7-13(22)19-11-8-16(2,3)21-17(4,5)9-11/h11,21H,6-9H2,1-5H3,(H,19,22)(H2,18,20,23,24).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 45354289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).