(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone

C20H27N3O2 — CID 163022736

IUPAC(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2COCCN2C2(C1)CN(C1CCC1)C2
InChIInChI=1S/C20H27N3O2/c24-19(16-5-2-1-3-6-16)21-11-18-12-25-10-9-23(18)20(13-21)14-22(15-20)17-7-4-8-17/h1-3,5-6,17-18H,4,7-15H2
InChIKeyUYZKRFXZOHYCOH-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.45
Rot. Bonds2

About (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone

(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone (PubChem CID 163022736) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
PubChem CID163022736
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2COCCN2C2(C1)CN(C1CCC1)C2
InChIInChI=1S/C20H27N3O2/c24-19(16-5-2-1-3-6-16)21-11-18-12-25-10-9-23(18)20(13-21)14-22(15-20)17-7-4-8-17/h1-3,5-6,17-18H,4,7-15H2
InChIKeyUYZKRFXZOHYCOH-UHFFFAOYSA-N
XLogP1.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone?
The IUPAC name of (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone (CID 163022736) is (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone.
What is the SMILES notation for (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone?
The canonical SMILES for (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone is O=C(c1ccccc1)N1CC2COCCN2C2(C1)CN(C1CCC1)C2.
What is the InChIKey of (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone?
The InChIKey is UYZKRFXZOHYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(16-5-2-1-3-6-16)21-11-18-12-25-10-9-23(18)20(13-21)14-22(15-20)17-7-4-8-17/h1-3,5-6,17-18H,4,7-15H2.
What are the key properties of (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone?
(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone has a molecular weight of 341.45 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone is sourced from PubChem (CID 163022736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).