1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

C20H28N4O4 — CID 71147874

IUPAC1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCC(=O)N1CCC2(CC1)CN1C(=O)CN(C)CC1(COCc1ccccn1)O2
InChIInChI=1S/C20H28N4O4/c1-16(25)23-9-6-19(7-10-23)13-24-18(26)11-22(2)14-20(24,28-19)15-27-12-17-5-3-4-8-21-17/h3-5,8H,6-7,9-15H2,1-2H3
InChIKeyNQCNZOCVAKZSDZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.48
Rot. Bonds4

About 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 71147874) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID71147874
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCC(=O)N1CCC2(CC1)CN1C(=O)CN(C)CC1(COCc1ccccn1)O2
InChIInChI=1S/C20H28N4O4/c1-16(25)23-9-6-19(7-10-23)13-24-18(26)11-22(2)14-20(24,28-19)15-27-12-17-5-3-4-8-21-17/h3-5,8H,6-7,9-15H2,1-2H3
InChIKeyNQCNZOCVAKZSDZ-UHFFFAOYSA-N
XLogP0.48
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one with MolForge

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Related Compounds

1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(pyrimidin-2-yloxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 11964884
[(3aR,7aS)-3a-(pyridin-2-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 124803739
[(3aS,7aR)-3a-(pyridin-2-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97423374
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
CID 97477576
(3R)-8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419146
8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155843149
2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477117
(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97419168
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689406
1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131663263

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (CID 71147874) is 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is CC(=O)N1CCC2(CC1)CN1C(=O)CN(C)CC1(COCc1ccccn1)O2.
What is the InChIKey of 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is NQCNZOCVAKZSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-16(25)23-9-6-19(7-10-23)13-24-18(26)11-22(2)14-20(24,28-19)15-27-12-17-5-3-4-8-21-17/h3-5,8H,6-7,9-15H2,1-2H3.
What are the key properties of 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 388.47 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-7-methyl-8a-(pyridin-2-ylmethoxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 71147874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).