methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate

C18H25N3O5 — CID 161179487

IUPACmethyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)CCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C18H25N3O5/c1-25-18(24)12-4-7-21(8-5-12)10-13(22)2-3-16-19-15-6-9-26-11-14(15)17(23)20-16/h12H,2-11H2,1H3,(H,19,20,23)
InChIKeyUSGGPXOINFENFU-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.23
Rot. Bonds6

About methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate

methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate (PubChem CID 161179487) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate
PubChem CID161179487
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)CCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C18H25N3O5/c1-25-18(24)12-4-7-21(8-5-12)10-13(22)2-3-16-19-15-6-9-26-11-14(15)17(23)20-16/h12H,2-11H2,1H3,(H,19,20,23)
InChIKeyUSGGPXOINFENFU-UHFFFAOYSA-N
XLogP0.23
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate 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-Oxo-2-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methylamino)ethyl)piperidine-4-carboxylic acid
CID 136627188
Methyl 1-[2-[methyl-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 136627228
Methyl 1-(2-oxo-2-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methylamino)ethyl)piperidine-4-carboxylate
CID 136627229
2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 137147831
1-[2-Oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylic acid
CID 157895464

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate (CID 161179487) is methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)CCc2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate?
The InChIKey is USGGPXOINFENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-18(24)12-4-7-21(8-5-12)10-13(22)2-3-16-19-15-6-9-26-11-14(15)17(23)20-16/h12H,2-11H2,1H3,(H,19,20,23).
What are the key properties of methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butyl]piperidine-4-carboxylate is sourced from PubChem (CID 161179487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).