[(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

C20H28N6O3 — CID 97401296

IUPAC[(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
SMILESCn1ccnc1CN1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12
InChIInChI=1S/C20H28N6O3/c1-23-8-4-21-17(23)15-24-6-2-20(3-7-24)19-22-5-9-26(19)14-16(29-20)18(27)25-10-12-28-13-11-25/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3/t16-/m1/s1
InChIKeyUKUUXGYBMSRFTG-MRXNPFEDSA-N
MW400.48 g/mol
LogP0.37
Rot. Bonds3

About [(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

[(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 (PubChem CID 97401296) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID97401296
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name[(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
SMILESCn1ccnc1CN1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12
InChIInChI=1S/C20H28N6O3/c1-23-8-4-21-17(23)15-24-6-2-20(3-7-24)19-22-5-9-26(19)14-16(29-20)18(27)25-10-12-28-13-11-25/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3/t16-/m1/s1
InChIKeyUKUUXGYBMSRFTG-MRXNPFEDSA-N
XLogP0.37
TPSA77.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
CID 131661410
N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131652146
[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
[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'-(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
[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
(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'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440436
N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 133141653
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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cn1ccnc1CN1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12.
What is the InChIKey of [(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?
The InChIKey is UKUUXGYBMSRFTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-23-8-4-21-17(23)15-24-6-2-20(3-7-24)19-22-5-9-26(19)14-16(29-20)18(27)25-10-12-28-13-11-25/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3/t16-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 400.48 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 97401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).