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

C22H27FN4O4 — CID 91917178

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H27FN4O4/c1-30-11-8-24-21(28)16-6-9-26(10-7-16)22(29)20-18-13-31-19(12-27(18)14-25-20)15-2-4-17(23)5-3-15/h2-5,14,16,19H,6-13H2,1H3,(H,24,28)
InChIKeyLDGSSSDCSLSUKZ-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.91
Rot. Bonds6

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

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 91917178) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 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-methoxyethyl)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-methoxyethyl)piperidine-4-carboxamide
PubChem CID91917178
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H27FN4O4/c1-30-11-8-24-21(28)16-6-9-26(10-7-16)22(29)20-18-13-31-19(12-27(18)14-25-20)15-2-4-17(23)5-3-15/h2-5,14,16,19H,6-13H2,1H3,(H,24,28)
InChIKeyLDGSSSDCSLSUKZ-UHFFFAOYSA-N
XLogP1.91
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methoxyethyl)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-methoxyethyl)piperidine-4-carboxamide (CID 91917178) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methoxyethyl)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-methoxyethyl)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-methoxyethyl)piperidine-4-carboxamide is COCCNC(=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-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is LDGSSSDCSLSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-30-11-8-24-21(28)16-6-9-26(10-7-16)22(29)20-18-13-31-19(12-27(18)14-25-20)15-2-4-17(23)5-3-15/h2-5,14,16,19H,6-13H2,1H3,(H,24,28).
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-methoxyethyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91917178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).