ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate

C14H26N2O3 — CID 81071015

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

About ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate

ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate (PubChem CID 81071015) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate
PubChem CID81071015
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(CC)CN)CC1
InChIInChI=1S/C14H26N2O3/c1-3-11(10-15)9-13(17)16-7-5-12(6-8-16)14(18)19-4-2/h11-12H,3-10,15H2,1-2H3
InChIKeyFWLUEOPMGNQTNU-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-[3-(aminomethyl)pentanoyl]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-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate (CID 81071015) is ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(CC)CN)CC1.
What is the InChIKey of ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate?
The InChIKey is FWLUEOPMGNQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11(10-15)9-13(17)16-7-5-12(6-8-16)14(18)19-4-2/h11-12H,3-10,15H2,1-2H3.
What are the key properties of ethyl 1-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(aminomethyl)pentanoyl]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-[3-(aminomethyl)pentanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 81071015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).