methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate

C11H20N2O3 — CID 22692172

IUPACmethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C11H20N2O3/c1-16-11(15)9-4-7-13(8-5-9)10(14)3-2-6-12/h9H,2-8,12H2,1H3
InChIKeyXAPVWNZVMULQPD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.14
Rot. Bonds4

About methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate

methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate (PubChem CID 22692172) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
PubChem CID22692172
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C11H20N2O3/c1-16-11(15)9-4-7-13(8-5-9)10(14)3-2-6-12/h9H,2-8,12H2,1H3
InChIKeyXAPVWNZVMULQPD-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-aminobutanoyl)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 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate (CID 22692172) is methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCCN)CC1.
What is the InChIKey of methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The InChIKey is XAPVWNZVMULQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-11(15)9-4-7-13(8-5-9)10(14)3-2-6-12/h9H,2-8,12H2,1H3.
What are the key properties of methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 22692172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).