5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one

C22H32F3N5O — CID 154825975

IUPAC5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one
SMILESCC1(C)CC(Nc2cccc3c2CN(C2CNNC(=O)C2C(F)(F)F)C3)CC(C)(C)N1
InChIInChI=1S/C22H32F3N5O/c1-20(2)8-14(9-21(3,4)29-20)27-16-7-5-6-13-11-30(12-15(13)16)17-10-26-28-19(31)18(17)22(23,24)25/h5-7,14,17-18,26-27,29H,8-12H2,1-4H3,(H,28,31)
InChIKeyNGSQHFYGXUNAAV-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.90
Rot. Bonds3

About 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one

5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one (PubChem CID 154825975) has the molecular formula C22H32F3N5O and a molecular weight of 439.53 g/mol. Its IUPAC name is 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one.

Molecular Properties

Compound Name5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one
PubChem CID154825975
Molecular FormulaC22H32F3N5O
Molecular Weight439.53 g/mol
Exact Mass439.26
IUPAC Name5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one
SMILESCC1(C)CC(Nc2cccc3c2CN(C2CNNC(=O)C2C(F)(F)F)C3)CC(C)(C)N1
InChIInChI=1S/C22H32F3N5O/c1-20(2)8-14(9-21(3,4)29-20)27-16-7-5-6-13-11-30(12-15(13)16)17-10-26-28-19(31)18(17)22(23,24)25/h5-7,14,17-18,26-27,29H,8-12H2,1-4H3,(H,28,31)
InChIKeyNGSQHFYGXUNAAV-UHFFFAOYSA-N
XLogP2.90
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one?
The IUPAC name of 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one (CID 154825975) is 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one.
What is the SMILES notation for 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one?
The canonical SMILES for 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one is CC1(C)CC(Nc2cccc3c2CN(C2CNNC(=O)C2C(F)(F)F)C3)CC(C)(C)N1.
What is the InChIKey of 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one?
The InChIKey is NGSQHFYGXUNAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N5O/c1-20(2)8-14(9-21(3,4)29-20)27-16-7-5-6-13-11-30(12-15(13)16)17-10-26-28-19(31)18(17)22(23,24)25/h5-7,14,17-18,26-27,29H,8-12H2,1-4H3,(H,28,31).
What are the key properties of 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one?
5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one has a molecular weight of 439.53 g/mol, XLogP of 2.90, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one is sourced from PubChem (CID 154825975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).