[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate

C24H39N5O6 — CID 4830949

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCC(C)CN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H39N5O6/c1-15(2)12-28(21-22(25)29(13-16(3)4)24(34)26-23(21)33)18(30)6-7-20(32)35-14-19(31)27-10-8-17(5)9-11-27/h15-17H,6-14,25H2,1-5H3,(H,26,33,34)
InChIKeyNBNJFDQEWOHUHW-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.35
Rot. Bonds10

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate (PubChem CID 4830949) has the molecular formula C24H39N5O6 and a molecular weight of 493.61 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate
PubChem CID4830949
Molecular FormulaC24H39N5O6
Molecular Weight493.61 g/mol
Exact Mass493.29
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCC(C)CN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H39N5O6/c1-15(2)12-28(21-22(25)29(13-16(3)4)24(34)26-23(21)33)18(30)6-7-20(32)35-14-19(31)27-10-8-17(5)9-11-27/h15-17H,6-14,25H2,1-5H3,(H,26,33,34)
InChIKeyNBNJFDQEWOHUHW-UHFFFAOYSA-N
XLogP1.35
TPSA147.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate (CID 4830949) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate is CC(C)CN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate?
The InChIKey is NBNJFDQEWOHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O6/c1-15(2)12-28(21-22(25)29(13-16(3)4)24(34)26-23(21)33)18(30)6-7-20(32)35-14-19(31)27-10-8-17(5)9-11-27/h15-17H,6-14,25H2,1-5H3,(H,26,33,34).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate has a molecular weight of 493.61 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 4830949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).