phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

C22H20N2O2 — CID 54670652

IUPACphenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C22H20N2O2/c25-21(17-7-2-1-3-8-17)23-15-12-22(13-16-23)20-11-6-14-24(20)18-9-4-5-10-19(18)26-22/h1-11,14H,12-13,15-16H2
InChIKeyASXJXTNLRDWLPF-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.00
Rot. Bonds1

About phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (PubChem CID 54670652) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
PubChem CID54670652
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namephenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C22H20N2O2/c25-21(17-7-2-1-3-8-17)23-15-12-22(13-16-23)20-11-6-14-24(20)18-9-4-5-10-19(18)26-22/h1-11,14H,12-13,15-16H2
InChIKeyASXJXTNLRDWLPF-UHFFFAOYSA-N
XLogP4.00
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?
The IUPAC name of phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (CID 54670652) is phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.
What is the SMILES notation for phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?
The canonical SMILES for phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is O=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-n1cccc12.
What is the InChIKey of phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?
The InChIKey is ASXJXTNLRDWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(17-7-2-1-3-8-17)23-15-12-22(13-16-23)20-11-6-14-24(20)18-9-4-5-10-19(18)26-22/h1-11,14H,12-13,15-16H2.
What are the key properties of phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?
phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is sourced from PubChem (CID 54670652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).