8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

C15H23N3O4 — CID 95043253

IUPAC8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCN(C(=O)CC3CCNCC3)CC2)C1
InChIInChI=1S/C15H23N3O4/c19-13(9-11-1-5-16-6-2-11)18-7-3-15(4-8-18)10-12(14(20)21)17-22-15/h11,16H,1-10H2,(H,20,21)
InChIKeyCUELTJCVIOAGMM-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.60
Rot. Bonds3

About 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 95043253) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID95043253
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCN(C(=O)CC3CCNCC3)CC2)C1
InChIInChI=1S/C15H23N3O4/c19-13(9-11-1-5-16-6-2-11)18-7-3-15(4-8-18)10-12(14(20)21)17-22-15/h11,16H,1-10H2,(H,20,21)
InChIKeyCUELTJCVIOAGMM-UHFFFAOYSA-N
XLogP0.60
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid 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 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 95043253) is 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCN(C(=O)CC3CCNCC3)CC2)C1.
What is the InChIKey of 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is CUELTJCVIOAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c19-13(9-11-1-5-16-6-2-11)18-7-3-15(4-8-18)10-12(14(20)21)17-22-15/h11,16H,1-10H2,(H,20,21).
What are the key properties of 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 95043253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).