4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid

C18H23N3O4 — CID 68577908

IUPAC4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid
SMILESO=C1Nc2ccccc2C2(CCN(C3CCN(C(=O)O)CC3)CC2)O1
InChIInChI=1S/C18H23N3O4/c22-16-19-15-4-2-1-3-14(15)18(25-16)7-11-20(12-8-18)13-5-9-21(10-6-13)17(23)24/h1-4,13H,5-12H2,(H,19,22)(H,23,24)
InChIKeyFIMCFVURTLIFOE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.68
Rot. Bonds1

About 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid

4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid (PubChem CID 68577908) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid
PubChem CID68577908
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid
SMILESO=C1Nc2ccccc2C2(CCN(C3CCN(C(=O)O)CC3)CC2)O1
InChIInChI=1S/C18H23N3O4/c22-16-19-15-4-2-1-3-14(15)18(25-16)7-11-20(12-8-18)13-5-9-21(10-6-13)17(23)24/h1-4,13H,5-12H2,(H,19,22)(H,23,24)
InChIKeyFIMCFVURTLIFOE-UHFFFAOYSA-N
XLogP2.68
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-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 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid (CID 68577908) is 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid is O=C1Nc2ccccc2C2(CCN(C3CCN(C(=O)O)CC3)CC2)O1.
What is the InChIKey of 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid?
The InChIKey is FIMCFVURTLIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16-19-15-4-2-1-3-14(15)18(25-16)7-11-20(12-8-18)13-5-9-21(10-6-13)17(23)24/h1-4,13H,5-12H2,(H,19,22)(H,23,24).
What are the key properties of 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid?
4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68577908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).