1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone

C16H28N2O2 — CID 65295543

IUPAC1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C12CCC2
InChIInChI=1S/C16H28N2O2/c1-3-20-15-11-14(16(15)7-4-8-16)17-13-5-9-18(10-6-13)12(2)19/h13-15,17H,3-11H2,1-2H3
InChIKeyPZCSVWPYYZBYAU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone

1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone (PubChem CID 65295543) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone
PubChem CID65295543
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C12CCC2
InChIInChI=1S/C16H28N2O2/c1-3-20-15-11-14(16(15)7-4-8-16)17-13-5-9-18(10-6-13)12(2)19/h13-15,17H,3-11H2,1-2H3
InChIKeyPZCSVWPYYZBYAU-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone 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 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone (CID 65295543) is 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone is CCOC1CC(NC2CCN(C(C)=O)CC2)C12CCC2.
What is the InChIKey of 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is PZCSVWPYYZBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-20-15-11-14(16(15)7-4-8-16)17-13-5-9-18(10-6-13)12(2)19/h13-15,17H,3-11H2,1-2H3.
What are the key properties of 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 65295543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).