(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone

C23H33N3O4 — CID 163101221

IUPAC(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3COCCN3C3(CN(CC4CCOCC4)C3)C2)cc1
InChIInChI=1S/C23H33N3O4/c1-28-21-4-2-19(3-5-21)22(27)25-13-20-14-30-11-8-26(20)23(17-25)15-24(16-23)12-18-6-9-29-10-7-18/h2-5,18,20H,6-17H2,1H3
InChIKeyVSBKAZHXBXWQHW-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.33
Rot. Bonds4

About (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone

(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone (PubChem CID 163101221) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone
PubChem CID163101221
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3COCCN3C3(CN(CC4CCOCC4)C3)C2)cc1
InChIInChI=1S/C23H33N3O4/c1-28-21-4-2-19(3-5-21)22(27)25-13-20-14-30-11-8-26(20)23(17-25)15-24(16-23)12-18-6-9-29-10-7-18/h2-5,18,20H,6-17H2,1H3
InChIKeyVSBKAZHXBXWQHW-UHFFFAOYSA-N
XLogP1.33
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone with MolForge

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Related Compounds

[1'-(3,3-dimethylbutyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]-phenylmethanone
CID 163100147
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
CID 163022736
1-(8-benzoylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)-2,2-dimethylpropan-1-one
CID 162790517
2-[2-[8-(4-chlorobenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]-2-oxoethoxy]acetic acid
CID 162790507
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-methoxy-1-(1'-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)ethanone
CID 162790792
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
2-methoxy-1-[1'-(oxetan-3-yl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790450
[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91908109
[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72915886

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone (CID 163101221) is (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone is COc1ccc(C(=O)N2CC3COCCN3C3(CN(CC4CCOCC4)C3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone?
The InChIKey is VSBKAZHXBXWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-28-21-4-2-19(3-5-21)22(27)25-13-20-14-30-11-8-26(20)23(17-25)15-24(16-23)12-18-6-9-29-10-7-18/h2-5,18,20H,6-17H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone?
(4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone has a molecular weight of 415.53 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1'-(oxan-4-ylmethyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]methanone is sourced from PubChem (CID 163101221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).