1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C26H26F3N3O2 — CID 70914271

IUPAC1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C26H26F3N3O2/c27-26(28,29)19-7-5-17(6-8-19)13-25(34)31-11-9-18(10-12-31)24(33)14-22-20-3-1-2-4-21(20)23-15-30-16-32(22)23/h1-8,15-16,18,22,24,33H,9-14H2/t22-,24+/m0/s1
InChIKeyCFSKVFWSULUVNP-LADGPHEKSA-N
MW469.51 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 70914271) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID70914271
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C26H26F3N3O2/c27-26(28,29)19-7-5-17(6-8-19)13-25(34)31-11-9-18(10-12-31)24(33)14-22-20-3-1-2-4-21(20)23-15-30-16-32(22)23/h1-8,15-16,18,22,24,33H,9-14H2/t22-,24+/m0/s1
InChIKeyCFSKVFWSULUVNP-LADGPHEKSA-N
XLogP4.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 70914271) is 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CFSKVFWSULUVNP-LADGPHEKSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c27-26(28,29)19-7-5-17(6-8-19)13-25(34)31-11-9-18(10-12-31)24(33)14-22-20-3-1-2-4-21(20)23-15-30-16-32(22)23/h1-8,15-16,18,22,24,33H,9-14H2/t22-,24+/m0/s1.
What are the key properties of 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 469.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 70914271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).