3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C17H20ClNO3 — CID 67996654

IUPAC3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C17H20ClNO3/c1-12(13-2-4-14(18)5-3-13)19-11-10-17(22-16(19)21)8-6-15(20)7-9-17/h2-5,12H,6-11H2,1H3/t12-/m0/s1
InChIKeyCGIYZJUXNHNXLT-LBPRGKRZSA-N
MW321.80 g/mol
LogP4.13
Rot. Bonds2

About 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996654) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996654
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C17H20ClNO3/c1-12(13-2-4-14(18)5-3-13)19-11-10-17(22-16(19)21)8-6-15(20)7-9-17/h2-5,12H,6-11H2,1H3/t12-/m0/s1
InChIKeyCGIYZJUXNHNXLT-LBPRGKRZSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione 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 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996654) is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is C[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is CGIYZJUXNHNXLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-12(13-2-4-14(18)5-3-13)19-11-10-17(22-16(19)21)8-6-15(20)7-9-17/h2-5,12H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 321.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).