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

C22H29N3O4 — CID 175769783

IUPAC1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN1CCCCC1C(C)Oc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C22H29N3O4/c1-3-23-12-5-4-7-19(23)15(2)29-17-10-11-18-16(13-17)14-24(22(18)28)25-20(26)8-6-9-21(25)27/h10-11,13,15,19H,3-9,12,14H2,1-2H3
InChIKeyLNOOLNGPFSGELN-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.74
Rot. Bonds5

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

1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 175769783) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID175769783
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN1CCCCC1C(C)Oc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C22H29N3O4/c1-3-23-12-5-4-7-19(23)15(2)29-17-10-11-18-16(13-17)14-24(22(18)28)25-20(26)8-6-9-21(25)27/h10-11,13,15,19H,3-9,12,14H2,1-2H3
InChIKeyLNOOLNGPFSGELN-UHFFFAOYSA-N
XLogP2.74
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[1-[(2S)-1-ethylpyrrolidin-2-yl]propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769730
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-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172715890
5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol
CID 174196346
1-[6-[(3R,5S)-1-ethyl-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175987475
3-[6-[1-(1-ethylpyrrolidin-2-yl)propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501059
ethane;ethyl 2-(chloromethyl)-4-[1-(1-ethylpiperidin-2-yl)ethoxy]benzoate
CID 156792010
1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175987440
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
CID 23318303
1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159202967
1-[6-[(2S)-1-benzyl-2-methylpiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175911469

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 175769783) is 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCN1CCCCC1C(C)Oc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O.
What is the InChIKey of 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LNOOLNGPFSGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-23-12-5-4-7-19(23)15(2)29-17-10-11-18-16(13-17)14-24(22(18)28)25-20(26)8-6-9-21(25)27/h10-11,13,15,19H,3-9,12,14H2,1-2H3.
What are the key properties of 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 399.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175769783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).