7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

C23H28N4O3 — CID 10223172

IUPAC7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCc1ccc(N2CC(=O)N3CC4(CCN(c5ccncc5)CC4)OC3C2)cc1
InChIInChI=1S/C23H28N4O3/c1-29-16-18-2-4-19(5-3-18)26-14-21(28)27-17-23(30-22(27)15-26)8-12-25(13-9-23)20-6-10-24-11-7-20/h2-7,10-11,22H,8-9,12-17H2,1H3
InChIKeyDSIYBLLZSHRFMJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.27
Rot. Bonds4

About 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 10223172) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID10223172
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCc1ccc(N2CC(=O)N3CC4(CCN(c5ccncc5)CC4)OC3C2)cc1
InChIInChI=1S/C23H28N4O3/c1-29-16-18-2-4-19(5-3-18)26-14-21(28)27-17-23(30-22(27)15-26)8-12-25(13-9-23)20-6-10-24-11-7-20/h2-7,10-11,22H,8-9,12-17H2,1H3
InChIKeyDSIYBLLZSHRFMJ-UHFFFAOYSA-N
XLogP2.27
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

7-(4-bromophenyl)sulfanyl-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 142152046
7-(4-bromophenyl)sulfanyl-1'-(pyridin-4-ylmethyl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 142152034
(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154568041
1'-(3-fluoro-4-pyridinyl)spiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 70037773
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
CID 54227295
8a-(methoxymethyl)-7-[(7-methyl-2H-chromen-3-yl)sulfanyl]-1'-pyridin-4-ylspiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 142152051
4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784408
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
CID 59505317
(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol
CID 72931915
N-ethyl-1-[4-(methoxymethyl)phenyl]piperidin-4-amine
CID 114253160
4-chloro-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168687750

Frequently Asked Questions

What is the IUPAC name of 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (CID 10223172) is 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is COCc1ccc(N2CC(=O)N3CC4(CCN(c5ccncc5)CC4)OC3C2)cc1.
What is the InChIKey of 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is DSIYBLLZSHRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-16-18-2-4-19(5-3-18)26-14-21(28)27-17-23(30-22(27)15-26)8-12-25(13-9-23)20-6-10-24-11-7-20/h2-7,10-11,22H,8-9,12-17H2,1H3.
What are the key properties of 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 408.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(methoxymethyl)phenyl]-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 10223172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).