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

C28H31FN4O3 — CID 91889544

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)cc1
InChIInChI=1S/C28H31FN4O3/c1-19-2-4-20(5-3-19)10-13-30-27(34)22-11-14-32(15-12-22)28(35)26-24-17-36-25(16-33(24)18-31-26)21-6-8-23(29)9-7-21/h2-9,18,22,25H,10-17H2,1H3,(H,30,34)
InChIKeyOWLBIRYFZPYSFH-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.81
Rot. Bonds6

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

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 91889544) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 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-(4-methylphenyl)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-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID91889544
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)cc1
InChIInChI=1S/C28H31FN4O3/c1-19-2-4-20(5-3-19)10-13-30-27(34)22-11-14-32(15-12-22)28(35)26-24-17-36-25(16-33(24)18-31-26)21-6-8-23(29)9-7-21/h2-9,18,22,25H,10-17H2,1H3,(H,30,34)
InChIKeyOWLBIRYFZPYSFH-UHFFFAOYSA-N
XLogP3.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 125127707
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-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 99744650
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
N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889610
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
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 99756700
N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125127777
1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 99744369
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
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
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

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-(4-methylphenyl)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-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 91889544) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)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-[2-(4-methylphenyl)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-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(CCNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)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-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is OWLBIRYFZPYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-19-2-4-20(5-3-19)10-13-30-27(34)22-11-14-32(15-12-22)28(35)26-24-17-36-25(16-33(24)18-31-26)21-6-8-23(29)9-7-21/h2-9,18,22,25H,10-17H2,1H3,(H,30,34).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 3.81, 6 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-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).