3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C18H20FN3O4 — CID 146300290

IUPAC3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@H]1CCC[C@@H]1Oc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C18H20FN3O4/c19-11-7-10-9(6-15(11)26-14-3-1-2-12(14)20)8-22(18(10)25)13-4-5-16(23)21-17(13)24/h6-7,12-14H,1-5,8,20H2,(H,21,23,24)/t12-,13?,14-/m0/s1
InChIKeyDZBRMBVCJBDJOV-HPNRGHHYSA-N
MW361.37 g/mol
LogP0.85
Rot. Bonds3

About 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146300290) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146300290
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@H]1CCC[C@@H]1Oc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C18H20FN3O4/c19-11-7-10-9(6-15(11)26-14-3-1-2-12(14)20)8-22(18(10)25)13-4-5-16(23)21-17(13)24/h6-7,12-14H,1-5,8,20H2,(H,21,23,24)/t12-,13?,14-/m0/s1
InChIKeyDZBRMBVCJBDJOV-HPNRGHHYSA-N
XLogP0.85
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[(1S,2S)-2-(3-cyclobutylazetidin-1-yl)cyclohexyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166470129
3-[6-[(2R)-2-aminocyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392031
3-[6-[(1S,2S)-2-(3-cyclopropylazetidin-1-yl)cyclohexyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166470117
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
3-[6-[1-(cyclobutylmethyl)piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310246
3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
CID 170639310
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-[6-[(2-aminocyclopentyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296265
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
(3S)-3-[6-[[(1R,2S)-2-aminocyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170412602

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146300290) is 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is N[C@H]1CCC[C@@H]1Oc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DZBRMBVCJBDJOV-HPNRGHHYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-11-7-10-9(6-15(11)26-14-3-1-2-12(14)20)8-22(18(10)25)13-4-5-16(23)21-17(13)24/h6-7,12-14H,1-5,8,20H2,(H,21,23,24)/t12-,13?,14-/m0/s1.
What are the key properties of 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 361.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146300290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).