3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide

C17H28N4O3 — CID 47082083

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24)
InChIKeyYXIHVZMWEYJHCA-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.54
Rot. Bonds6

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 47082083) 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-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID47082083
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24)
InChIKeyYXIHVZMWEYJHCA-UHFFFAOYSA-N
XLogP0.54
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.54
H-Bond Donors ≤ 53
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-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide (CID 47082083) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is YXIHVZMWEYJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 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-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 47082083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).