methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate

C12H20N2O3 — CID 18314255

IUPACmethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCCCC2=O)CCNCC1
InChIInChI=1S/C12H20N2O3/c1-17-11(16)12(5-7-13-8-6-12)14-9-3-2-4-10(14)15/h13H,2-9H2,1H3
InChIKeyUFNJKRIMSICYDW-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds2

About methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate

methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate (PubChem CID 18314255) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
PubChem CID18314255
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCCCC2=O)CCNCC1
InChIInChI=1S/C12H20N2O3/c1-17-11(16)12(5-7-13-8-6-12)14-9-3-2-4-10(14)15/h13H,2-9H2,1H3
InChIKeyUFNJKRIMSICYDW-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-oxopiperidin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate (CID 18314255) is methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate is COC(=O)C1(N2CCCCC2=O)CCNCC1.
What is the InChIKey of methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The InChIKey is UFNJKRIMSICYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-11(16)12(5-7-13-8-6-12)14-9-3-2-4-10(14)15/h13H,2-9H2,1H3.
What are the key properties of methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate is sourced from PubChem (CID 18314255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).