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

C21H27N3O4 — CID 172703620

IUPAC3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2Cc3cc(OC[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C21H27N3O4/c1-2-23-10-4-3-5-15(23)13-28-16-6-7-17-14(11-16)12-24(21(17)27)18-8-9-19(25)22-20(18)26/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3,(H,22,25,26)/t15-,18?/m1/s1/i18D
InChIKeyDHFJHVJOMHNTSK-KEVRRSAQSA-N
MW386.47 g/mol
LogP1.70
Rot. Bonds5

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

3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 172703620) has the molecular formula C21H27N3O4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID172703620
Molecular FormulaC21H27N3O4
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2Cc3cc(OC[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C21H27N3O4/c1-2-23-10-4-3-5-15(23)13-28-16-6-7-17-14(11-16)12-24(21(17)27)18-8-9-19(25)22-20(18)26/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3,(H,22,25,26)/t15-,18?/m1/s1/i18D
InChIKeyDHFJHVJOMHNTSK-KEVRRSAQSA-N
XLogP1.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172715890
3-[6-[2-[(2R)-1-ethylpyrrolidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175297198
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
3-[6-[[(2R)-1-[(3-methylcyclobutyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174202485
3-[6-[[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174201274
3-[6-[[(2R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501026
3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500798
3-[6-[[(2R)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500784
3-[6-[[(2R)-1-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500977
4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide
CID 156501020
3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500639
3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512019

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 172703620) is 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C1(N2Cc3cc(OC[C@H]4CCCCN4CC)ccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DHFJHVJOMHNTSK-KEVRRSAQSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-2-23-10-4-3-5-15(23)13-28-16-6-7-17-14(11-16)12-24(21(17)27)18-8-9-19(25)22-20(18)26/h6-7,11,15,18H,2-5,8-10,12-13H2,1H3,(H,22,25,26)/t15-,18?/m1/s1/i18D.
What are the key properties of 3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-deuterio-3-[6-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 386.47 g/mol, XLogP of 1.70, 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-[[(2R)-1-ethylpiperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 172703620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).