1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C25H26FN5O3 — CID 91889550

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C25H26FN5O3/c26-20-5-3-18(4-6-20)22-14-31-16-29-23(21(31)15-34-22)25(33)30-10-7-19(8-11-30)24(32)28-13-17-2-1-9-27-12-17/h1-6,9,12,16,19,22H,7-8,10-11,13-15H2,(H,28,32)
InChIKeySLOFHGGJNJNMJS-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.86
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 91889550) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID91889550
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C25H26FN5O3/c26-20-5-3-18(4-6-20)22-14-31-16-29-23(21(31)15-34-22)25(33)30-10-7-19(8-11-30)24(32)28-13-17-2-1-9-27-12-17/h1-6,9,12,16,19,22H,7-8,10-11,13-15H2,(H,28,32)
InChIKeySLOFHGGJNJNMJS-UHFFFAOYSA-N
XLogP2.86
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 91889550) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)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-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SLOFHGGJNJNMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-20-5-3-18(4-6-20)22-14-31-16-29-23(21(31)15-34-22)25(33)30-10-7-19(8-11-30)24(32)28-13-17-2-1-9-27-12-17/h1-6,9,12,16,19,22H,7-8,10-11,13-15H2,(H,28,32).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 2.86, 5 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).