1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone

C24H34N4O4 — CID 162803189

IUPAC1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CC3COCCN3C3(C2)CN(C2CCN(C(C)=O)CC2)C3)c1
InChIInChI=1S/C24H34N4O4/c1-18(29)25-8-6-20(7-9-25)27-16-24(17-27)15-26(13-21-14-32-11-10-28(21)24)23(30)19-4-3-5-22(12-19)31-2/h3-5,12,20-21H,6-11,13-17H2,1-2H3
InChIKeyRPRQYLCAJYGYLL-UHFFFAOYSA-N
MW442.56 g/mol
LogP0.92
Rot. Bonds3

About 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone

1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone (PubChem CID 162803189) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone
PubChem CID162803189
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CC3COCCN3C3(C2)CN(C2CCN(C(C)=O)CC2)C3)c1
InChIInChI=1S/C24H34N4O4/c1-18(29)25-8-6-20(7-9-25)27-16-24(17-27)15-26(13-21-14-32-11-10-28(21)24)23(30)19-4-3-5-22(12-19)31-2/h3-5,12,20-21H,6-11,13-17H2,1-2H3
InChIKeyRPRQYLCAJYGYLL-UHFFFAOYSA-N
XLogP0.92
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
CID 163022736
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-[(12S,13S,14S)-13,14-dihydroxy-12-methoxy-6-(3-methoxybenzoyl)-1-oxa-6,10-diazacyclopentadec-10-yl]ethanone
CID 155995669
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone (CID 162803189) is 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone is COc1cccc(C(=O)N2CC3COCCN3C3(C2)CN(C2CCN(C(C)=O)CC2)C3)c1.
What is the InChIKey of 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone?
The InChIKey is RPRQYLCAJYGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-18(29)25-8-6-20(7-9-25)27-16-24(17-27)15-26(13-21-14-32-11-10-28(21)24)23(30)19-4-3-5-22(12-19)31-2/h3-5,12,20-21H,6-11,13-17H2,1-2H3.
What are the key properties of 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone?
1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone has a molecular weight of 442.56 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(3-methoxybenzoyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 162803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).