morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone

C21H27N5O3 — CID 131656590

IUPACmorpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
SMILESO=C(C1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCOCC1
InChIInChI=1S/C21H27N5O3/c27-19(25-11-13-28-14-12-25)18-16-26-10-7-23-20(26)21(29-18)3-8-24(9-4-21)15-17-1-5-22-6-2-17/h1-2,5-7,10,18H,3-4,8-9,11-16H2
InChIKeyXOZVRZBRRIRZQB-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.03
Rot. Bonds3

About morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone

morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone (PubChem CID 131656590) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
PubChem CID131656590
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Namemorpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
SMILESO=C(C1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCOCC1
InChIInChI=1S/C21H27N5O3/c27-19(25-11-13-28-14-12-25)18-16-26-10-7-23-20(26)21(29-18)3-8-24(9-4-21)15-17-1-5-22-6-2-17/h1-2,5-7,10,18H,3-4,8-9,11-16H2
InChIKeyXOZVRZBRRIRZQB-UHFFFAOYSA-N
XLogP1.03
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 134074327
[(6R)-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 97401296
[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 131650965
(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
CID 131661410
[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 155900785
[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 155870660
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220
[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
CID 155900446
1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077189
[1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171672497
(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440199
(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440436

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone?
The IUPAC name of morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone (CID 131656590) is morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone is O=C(C1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone?
The InChIKey is XOZVRZBRRIRZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19(25-11-13-28-14-12-25)18-16-26-10-7-23-20(26)21(29-18)3-8-24(9-4-21)15-17-1-5-22-6-2-17/h1-2,5-7,10,18H,3-4,8-9,11-16H2.
What are the key properties of morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone?
morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone is sourced from PubChem (CID 131656590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).