[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone

C23H31F2N3O2 — CID 123266484

IUPAC[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone
SMILESNC1CC(N2CCC3(CCN(C(=O)C4CC4)CC3)C2)COC1c1cc(F)ccc1F
InChIInChI=1S/C23H31F2N3O2/c24-16-3-4-19(25)18(11-16)21-20(26)12-17(13-30-21)28-10-7-23(14-28)5-8-27(9-6-23)22(29)15-1-2-15/h3-4,11,15,17,20-21H,1-2,5-10,12-14,26H2
InChIKeyUVEQXNQRHGQKLH-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.85
Rot. Bonds3

About [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone

[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone (PubChem CID 123266484) has the molecular formula C23H31F2N3O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone
PubChem CID123266484
Molecular FormulaC23H31F2N3O2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone
SMILESNC1CC(N2CCC3(CCN(C(=O)C4CC4)CC3)C2)COC1c1cc(F)ccc1F
InChIInChI=1S/C23H31F2N3O2/c24-16-3-4-19(25)18(11-16)21-20(26)12-17(13-30-21)28-10-7-23(14-28)5-8-27(9-6-23)22(29)15-1-2-15/h3-4,11,15,17,20-21H,1-2,5-10,12-14,26H2
InChIKeyUVEQXNQRHGQKLH-UHFFFAOYSA-N
XLogP2.85
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone?
The IUPAC name of [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone (CID 123266484) is [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone is NC1CC(N2CCC3(CCN(C(=O)C4CC4)CC3)C2)COC1c1cc(F)ccc1F.
What is the InChIKey of [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone?
The InChIKey is UVEQXNQRHGQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3O2/c24-16-3-4-19(25)18(11-16)21-20(26)12-17(13-30-21)28-10-7-23(14-28)5-8-27(9-6-23)22(29)15-1-2-15/h3-4,11,15,17,20-21H,1-2,5-10,12-14,26H2.
What are the key properties of [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone?
[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone has a molecular weight of 419.52 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone is sourced from PubChem (CID 123266484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).