1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C23H29FN4O3 — CID 91889520

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C23H29FN4O3/c1-15(2)11-25-22(29)17-7-9-27(10-8-17)23(30)21-19-13-31-20(12-28(19)14-26-21)16-3-5-18(24)6-4-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,25,29)
InChIKeySJMNJXUPXSGOGP-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.92
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 91889520) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID91889520
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C23H29FN4O3/c1-15(2)11-25-22(29)17-7-9-27(10-8-17)23(30)21-19-13-31-20(12-28(19)14-26-21)16-3-5-18(24)6-4-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,25,29)
InChIKeySJMNJXUPXSGOGP-UHFFFAOYSA-N
XLogP2.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide with MolForge

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Related Compounds

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benzyl (2S)-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate
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Ilp-II-110
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[2-(1,3-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)-1-phenylethyl] acetate
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N-[(4-Fluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
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1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(furan-2-YL)methyl]piperidine-4-carboxamide
CID 91889538
N-(3-Chloro-4-fluorophenyl)-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 91889520) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is SJMNJXUPXSGOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-15(2)11-25-22(29)17-7-9-27(10-8-17)23(30)21-19-13-31-20(12-28(19)14-26-21)16-3-5-18(24)6-4-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,25,29).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).