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

C26H29N3O3 — CID 91894330

IUPAC(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
SMILESCOc1ccc(C2Cn3cnc(C(=O)N4CCC(Cc5ccccc5)CC4)c3CO2)cc1
InChIInChI=1S/C26H29N3O3/c1-31-22-9-7-21(8-10-22)24-16-29-18-27-25(23(29)17-32-24)26(30)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,18,20,24H,11-17H2,1H3
InChIKeyVCBUIQADOKGCFC-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.26
Rot. Bonds5

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

(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone (PubChem CID 91894330) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
PubChem CID91894330
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
SMILESCOc1ccc(C2Cn3cnc(C(=O)N4CCC(Cc5ccccc5)CC4)c3CO2)cc1
InChIInChI=1S/C26H29N3O3/c1-31-22-9-7-21(8-10-22)24-16-29-18-27-25(23(29)17-32-24)26(30)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,18,20,24H,11-17H2,1H3
InChIKeyVCBUIQADOKGCFC-UHFFFAOYSA-N
XLogP4.26
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.26
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
[(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
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-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-(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
N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744625
(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125125789
N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894320
N-(cyclohexylmethyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744438
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

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone (CID 91894330) is (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone is COc1ccc(C2Cn3cnc(C(=O)N4CCC(Cc5ccccc5)CC4)c3CO2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
The InChIKey is VCBUIQADOKGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-22-9-7-21(8-10-22)24-16-29-18-27-25(23(29)17-32-24)26(30)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,18,20,24H,11-17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone is sourced from PubChem (CID 91894330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).