ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate

C14H20N4O4 — CID 71895233

IUPACethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)[nH]c(=O)n2)CC1
InChIInChI=1S/C14H20N4O4/c1-3-22-14(21)18-6-4-10(5-7-18)16-12(19)11-8-9(2)15-13(20)17-11/h8,10H,3-7H2,1-2H3,(H,16,19)(H,15,17,20)
InChIKeyRCJKFUQTZOXTEF-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.43
Rot. Bonds3

About ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 71895233) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID71895233
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)[nH]c(=O)n2)CC1
InChIInChI=1S/C14H20N4O4/c1-3-22-14(21)18-6-4-10(5-7-18)16-12(19)11-8-9(2)15-13(20)17-11/h8,10H,3-7H2,1-2H3,(H,16,19)(H,15,17,20)
InChIKeyRCJKFUQTZOXTEF-UHFFFAOYSA-N
XLogP0.43
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate 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 ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (CID 71895233) is ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(C)[nH]c(=O)n2)CC1.
What is the InChIKey of ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is RCJKFUQTZOXTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-3-22-14(21)18-6-4-10(5-7-18)16-12(19)11-8-9(2)15-13(20)17-11/h8,10H,3-7H2,1-2H3,(H,16,19)(H,15,17,20).
What are the key properties of ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71895233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).