3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H29N3O4 — CID 172715890

IUPAC3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2Cc3cc(O[C@H](C)[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19?/m1/s1/i19D
InChIKeyFVZCFUKXGUUDBQ-RJBUWRASSA-N
MW400.50 g/mol
LogP2.09
Rot. Bonds5

About 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 172715890) has the molecular formula C22H29N3O4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID172715890
Molecular FormulaC22H29N3O4
Molecular Weight400.50 g/mol
Exact Mass400.22
IUPAC Name3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2Cc3cc(O[C@H](C)[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19?/m1/s1/i19D
InChIKeyFVZCFUKXGUUDBQ-RJBUWRASSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[6-[(1R)-1-[(2S)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500997
3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172703620
3-[6-[1-(1-ethylpyrrolidin-2-yl)propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501059
1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769783
3-[6-[2-[(2R)-1-ethylpyrrolidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175297198
3-[6-[(2S,3S)-1-ethyl-2-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166591945
5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166875808
[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
CID 175127633
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 172715890) is 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C1(N2Cc3cc(O[C@H](C)[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FVZCFUKXGUUDBQ-RJBUWRASSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19?/m1/s1/i19D.
What are the key properties of 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 400.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 172715890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).