methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate

C10H16N2O4 — CID 134069304

IUPACmethyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H16N2O4/c1-16-9(14)5-8(13)12-4-2-3-7(6-12)10(11)15/h7H,2-6H2,1H3,(H2,11,15)
InChIKeyPVCCEYSRKRQMPU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.73
Rot. Bonds3

About methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate

methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate (PubChem CID 134069304) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
PubChem CID134069304
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H16N2O4/c1-16-9(14)5-8(13)12-4-2-3-7(6-12)10(11)15/h7H,2-6H2,1H3,(H2,11,15)
InChIKeyPVCCEYSRKRQMPU-UHFFFAOYSA-N
XLogP-0.73
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate 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 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate (CID 134069304) is methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate is COC(=O)CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate?
The InChIKey is PVCCEYSRKRQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-16-9(14)5-8(13)12-4-2-3-7(6-12)10(11)15/h7H,2-6H2,1H3,(H2,11,15).
What are the key properties of methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate?
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate has a molecular weight of 228.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate is sourced from PubChem (CID 134069304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).