ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate

C14H26N2O3 — CID 82016940

IUPACethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCC(C)CN)CC1
InChIInChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-8-16(9-7-12)13(17)5-4-11(2)10-15/h11-12H,3-10,15H2,1-2H3
InChIKeyDVQLFBBXXLQRRH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds6

About ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate

ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate (PubChem CID 82016940) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate
PubChem CID82016940
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCC(C)CN)CC1
InChIInChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-8-16(9-7-12)13(17)5-4-11(2)10-15/h11-12H,3-10,15H2,1-2H3
InChIKeyDVQLFBBXXLQRRH-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(5-amino-4-methylpentanoyl)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 ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate (CID 82016940) is ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCC(C)CN)CC1.
What is the InChIKey of ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate?
The InChIKey is DVQLFBBXXLQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-8-16(9-7-12)13(17)5-4-11(2)10-15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate?
ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-4-methylpentanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 82016940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).