2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide

C28H30FN3O2 — CID 134231906

IUPAC2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C28H30FN3O2/c1-30-24(33)16-28(29)17-32(23-11-3-2-10-22(23)28)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3,(H,30,33)/t26?,27-,28-/m1/s1
InChIKeyKNAUOSPTCXYLND-DXISBFFWSA-N
MW459.57 g/mol
LogP4.21
Rot. Bonds4

About 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide

2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide (PubChem CID 134231906) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide
PubChem CID134231906
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C28H30FN3O2/c1-30-24(33)16-28(29)17-32(23-11-3-2-10-22(23)28)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3,(H,30,33)/t26?,27-,28-/m1/s1
InChIKeyKNAUOSPTCXYLND-DXISBFFWSA-N
XLogP4.21
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide (CID 134231906) is 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide is CNC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide?
The InChIKey is KNAUOSPTCXYLND-DXISBFFWSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-30-24(33)16-28(29)17-32(23-11-3-2-10-22(23)28)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3,(H,30,33)/t26?,27-,28-/m1/s1.
What are the key properties of 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide?
2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide has a molecular weight of 459.57 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]-N-methylacetamide is sourced from PubChem (CID 134231906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).