tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate

C23H30FN3O4 — CID 170437666

IUPACtert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(cc2F)N([C@@H]2CCC(=O)NC2=O)CC3)CC1
InChIInChI=1S/C23H30FN3O4/c1-23(2,3)31-22(30)26-9-6-14(7-10-26)16-12-15-8-11-27(19(15)13-17(16)24)18-4-5-20(28)25-21(18)29/h12-14,18H,4-11H2,1-3H3,(H,25,28,29)/t18-/m1/s1
InChIKeyUDHDAPIFGMLFRQ-GOSISDBHSA-N
MW431.51 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate (PubChem CID 170437666) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate
PubChem CID170437666
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC Nametert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(cc2F)N([C@@H]2CCC(=O)NC2=O)CC3)CC1
InChIInChI=1S/C23H30FN3O4/c1-23(2,3)31-22(30)26-9-6-14(7-10-26)16-12-15-8-11-27(19(15)13-17(16)24)18-4-5-20(28)25-21(18)29/h12-14,18H,4-11H2,1-3H3,(H,25,28,29)/t18-/m1/s1
InChIKeyUDHDAPIFGMLFRQ-GOSISDBHSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidine-1-carboxylate
CID 171098309
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidine-1-carboxylate
CID 164567017
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate
CID 134413948
tert-butyl 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172592088
3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311089
tert-butyl 4-[[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 165137062
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
3-[6-[1-(2-cyclopentylacetyl)piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311509
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
tert-butyl 2-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625132

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate (CID 170437666) is tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3c(cc2F)N([C@@H]2CCC(=O)NC2=O)CC3)CC1.
What is the InChIKey of tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate?
The InChIKey is UDHDAPIFGMLFRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-23(2,3)31-22(30)26-9-6-14(7-10-26)16-12-15-8-11-27(19(15)13-17(16)24)18-4-5-20(28)25-21(18)29/h12-14,18H,4-11H2,1-3H3,(H,25,28,29)/t18-/m1/s1.
What are the key properties of tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate has a molecular weight of 431.51 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-6-fluoro-2,3-dihydroindol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 170437666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).