[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone

C22H30N6O2 — CID 97440324

IUPAC[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
SMILESCCc1cnc(N2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)nc1
InChIInChI=1S/C22H30N6O2/c1-2-17-14-24-21(25-15-17)27-11-6-22(7-12-27)20-23-8-13-28(20)16-18(30-22)19(29)26-9-4-3-5-10-26/h8,13-15,18H,2-7,9-12,16H2,1H3/t18-/m1/s1
InChIKeySUEVAFWGESUDLG-GOSISDBHSA-N
MW410.52 g/mol
LogP2.14
Rot. Bonds3

About [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone

[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone (PubChem CID 97440324) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
PubChem CID97440324
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
SMILESCCc1cnc(N2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)nc1
InChIInChI=1S/C22H30N6O2/c1-2-17-14-24-21(25-15-17)27-11-6-22(7-12-27)20-23-8-13-28(20)16-18(30-22)19(29)26-9-4-3-5-10-26/h8,13-15,18H,2-7,9-12,16H2,1H3/t18-/m1/s1
InChIKeySUEVAFWGESUDLG-GOSISDBHSA-N
XLogP2.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
CID 155900446
N,N-diethyl-1'-(5-fluoropyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131656579
2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155850147
[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'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 155870660
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
[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
[(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
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360915

Frequently Asked Questions

What is the IUPAC name of [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone (CID 97440324) is [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone is CCc1cnc(N2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)nc1.
What is the InChIKey of [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The InChIKey is SUEVAFWGESUDLG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-2-17-14-24-21(25-15-17)27-11-6-22(7-12-27)20-23-8-13-28(20)16-18(30-22)19(29)26-9-4-3-5-10-26/h8,13-15,18H,2-7,9-12,16H2,1H3/t18-/m1/s1.
What are the key properties of [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone has a molecular weight of 410.52 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97440324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).