[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone

C21H27N3O3 — CID 125126558

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2Cn3cnc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3CO2)cc1
InChIInChI=1S/C21H27N3O3/c1-14-8-15(2)10-23(9-14)21(25)20-18-12-27-19(11-24(18)13-22-20)16-4-6-17(26-3)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3/t14-,15-,19+/m1/s1
InChIKeyHFTILKNBNHTMCC-CLCXKQKWSA-N
MW369.47 g/mol
LogP3.28
Rot. Bonds3

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone (PubChem CID 125126558) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
PubChem CID125126558
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2Cn3cnc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3CO2)cc1
InChIInChI=1S/C21H27N3O3/c1-14-8-15(2)10-23(9-14)21(25)20-18-12-27-19(11-24(18)13-22-20)16-4-6-17(26-3)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3/t14-,15-,19+/m1/s1
InChIKeyHFTILKNBNHTMCC-CLCXKQKWSA-N
XLogP3.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-morpholin-4-ylmethanone
CID 91894326
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
CID 91894330
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744584
1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 99744606
N-[(4-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889613
N-(3,4-difluorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744494
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128987
N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744498
N-(4-fluoro-3-methylphenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744508
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126190
(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125125789

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone (CID 125126558) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone is COc1ccc([C@@H]2Cn3cnc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3CO2)cc1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The InChIKey is HFTILKNBNHTMCC-CLCXKQKWSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-8-15(2)10-23(9-14)21(25)20-18-12-27-19(11-24(18)13-22-20)16-4-6-17(26-3)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3/t14-,15-,19+/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone is sourced from PubChem (CID 125126558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).