1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine

C24H25FN4O3S — CID 90313743

IUPAC1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1
InChIInChI=1S/C24H25FN4O3S/c25-21-13-16(5-6-19(21)17-14-22-24(28-15-17)27-9-12-32-22)20-3-1-2-4-23(20)33(30,31)29-10-7-18(26)8-11-29/h1-6,13-15,18H,7-12,26H2,(H,27,28)
InChIKeySJEAICWBZBYDKN-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine

1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine (PubChem CID 90313743) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine
PubChem CID90313743
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1
InChIInChI=1S/C24H25FN4O3S/c25-21-13-16(5-6-19(21)17-14-22-24(28-15-17)27-9-12-32-22)20-3-1-2-4-23(20)33(30,31)29-10-7-18(26)8-11-29/h1-6,13-15,18H,7-12,26H2,(H,27,28)
InChIKeySJEAICWBZBYDKN-UHFFFAOYSA-N
XLogP3.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine (CID 90313743) is 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1.
What is the InChIKey of 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine?
The InChIKey is SJEAICWBZBYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c25-21-13-16(5-6-19(21)17-14-22-24(28-15-17)27-9-12-32-22)20-3-1-2-4-23(20)33(30,31)29-10-7-18(26)8-11-29/h1-6,13-15,18H,7-12,26H2,(H,27,28).
What are the key properties of 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine?
1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine has a molecular weight of 468.55 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 90313743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).