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

C27H28F2N4O3 — CID 91889541

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H28F2N4O3/c1-17(18-2-6-21(28)7-3-18)31-26(34)20-10-12-32(13-11-20)27(35)25-23-15-36-24(14-33(23)16-30-25)19-4-8-22(29)9-5-19/h2-9,16-17,20,24H,10-15H2,1H3,(H,31,34)
InChIKeyWEMIMZOXTRHGFH-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.16
Rot. Bonds5

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

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 91889541) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID91889541
Molecular FormulaC27H28F2N4O3
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H28F2N4O3/c1-17(18-2-6-21(28)7-3-18)31-26(34)20-10-12-32(13-11-20)27(35)25-23-15-36-24(14-33(23)16-30-25)19-4-8-22(29)9-5-19/h2-9,16-17,20,24H,10-15H2,1H3,(H,31,34)
InChIKeyWEMIMZOXTRHGFH-UHFFFAOYSA-N
XLogP4.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 99744304
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99748402
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 91889502
N-ethyl-1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125126661
[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 125128090
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99744280
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 99744730
[1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 125128663
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 99744704
N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889662
N-(2,4-dimethylphenyl)-1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99756147
N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125127869

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-[1-(4-fluorophenyl)ethyl]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-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 91889541) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]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-[1-(4-fluorophenyl)ethyl]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-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WEMIMZOXTRHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-17(18-2-6-21(28)7-3-18)31-26(34)20-10-12-32(13-11-20)27(35)25-23-15-36-24(14-33(23)16-30-25)19-4-8-22(29)9-5-19/h2-9,16-17,20,24H,10-15H2,1H3,(H,31,34).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.16, 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-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).