1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C25H28N2O4 — CID 16672353

IUPAC1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CCCC2)cc1
InChIInChI=1S/C25H28N2O4/c1-30-19-10-8-18(9-11-19)24(12-4-5-13-24)23(29)27-16-14-25(15-17-27)26-22(28)20-6-2-3-7-21(20)31-25/h2-3,6-11H,4-5,12-17H2,1H3,(H,26,28)
InChIKeyJAMQOKSSWWASRF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.65
Rot. Bonds3

About 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 16672353) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID16672353
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CCCC2)cc1
InChIInChI=1S/C25H28N2O4/c1-30-19-10-8-18(9-11-19)24(12-4-5-13-24)23(29)27-16-14-25(15-17-27)26-22(28)20-6-2-3-7-21(20)31-25/h2-3,6-11H,4-5,12-17H2,1H3,(H,26,28)
InChIKeyJAMQOKSSWWASRF-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one 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'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 16672353) is 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is COc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CCCC2)cc1.
What is the InChIKey of 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is JAMQOKSSWWASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-30-19-10-8-18(9-11-19)24(12-4-5-13-24)23(29)27-16-14-25(15-17-27)26-22(28)20-6-2-3-7-21(20)31-25/h2-3,6-11H,4-5,12-17H2,1H3,(H,26,28).
What are the key properties of 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 420.51 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16672353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).