5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one

C13H26N2O2 — CID 82010948

IUPAC5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
SMILESCCOC1CCN(C(=O)CCC(C)CN)CC1
InChIInChI=1S/C13H26N2O2/c1-3-17-12-6-8-15(9-7-12)13(16)5-4-11(2)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyLXIXWPZKJQLFSR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one

5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 82010948) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
PubChem CID82010948
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
SMILESCCOC1CCN(C(=O)CCC(C)CN)CC1
InChIInChI=1S/C13H26N2O2/c1-3-17-12-6-8-15(9-7-12)13(16)5-4-11(2)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyLXIXWPZKJQLFSR-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
1-(4-ethoxypiperidin-1-yl)-6-methylhept-4-yn-1-one
CID 178164662

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one (CID 82010948) is 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one is CCOC1CCN(C(=O)CCC(C)CN)CC1.
What is the InChIKey of 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is LXIXWPZKJQLFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-12-6-8-15(9-7-12)13(16)5-4-11(2)10-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one?
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 82010948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).