3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione

C23H31N3O4 — CID 146296764

IUPAC3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione
SMILESCCN(CC)C1CCCCC1Oc1ccc2c(c1)CN(C1CC(=O)CNC1=O)C2=O
InChIInChI=1S/C23H31N3O4/c1-3-25(4-2)19-7-5-6-8-21(19)30-17-9-10-18-15(11-17)14-26(23(18)29)20-12-16(27)13-24-22(20)28/h9-11,19-21H,3-8,12-14H2,1-2H3,(H,24,28)
InChIKeyZMULUIVQIJCRIV-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.13
Rot. Bonds6

About 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione

3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione (PubChem CID 146296764) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione.

Molecular Properties

Compound Name3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione
PubChem CID146296764
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione
SMILESCCN(CC)C1CCCCC1Oc1ccc2c(c1)CN(C1CC(=O)CNC1=O)C2=O
InChIInChI=1S/C23H31N3O4/c1-3-25(4-2)19-7-5-6-8-21(19)30-17-9-10-18-15(11-17)14-26(23(18)29)20-12-16(27)13-24-22(20)28/h9-11,19-21H,3-8,12-14H2,1-2H3,(H,24,28)
InChIKeyZMULUIVQIJCRIV-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione 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

5-[(1S,2S)-2-[ethyl(methyl)amino]cyclohexyl]oxy-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158638504
3-[2-[[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclopentyl]-ethylamino]ethyl]-1-methylcyclobutane-1-carbonitrile
CID 147112732
3-[6-[4-(diethylamino)oxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296637
5-[(1R,2S)-2-[2,2-difluoroethyl(ethyl)amino]cyclopentyl]oxy-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158129562
5-[(1R,2R)-2-[ethyl-[(3-methoxycyclobutyl)methyl]amino]cyclopentyl]oxy-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 160778539
3-[6-[(1R,2R,3S)-2-(diethylamino)-3-methylcyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300450
3-[6-[(1S)-2-methylcyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170104196
5-[2-[2,2-difluoroethyl(ethyl)amino]cyclopentyl]oxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3H-pyridin-1-ium-3-yl)-3H-isoindol-1-one
CID 163938201
5-[(1R,2S)-2-[ethyl(methyl)amino]cyclopentyl]oxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3H-pyridin-1-ium-3-yl)-3H-isoindol-1-one
CID 163911655
[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
CID 175127633
5-[(1R,2S)-2-[ethyl(oxetan-3-ylmethyl)amino]cyclopentyl]oxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3H-pyridin-1-ium-3-yl)-3H-isoindol-1-one
CID 163961237
3-[6-[(2R)-2-aminocyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392031

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione?
The IUPAC name of 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione (CID 146296764) is 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione.
What is the SMILES notation for 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione?
The canonical SMILES for 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione is CCN(CC)C1CCCCC1Oc1ccc2c(c1)CN(C1CC(=O)CNC1=O)C2=O.
What is the InChIKey of 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione?
The InChIKey is ZMULUIVQIJCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-25(4-2)19-7-5-6-8-21(19)30-17-9-10-18-15(11-17)14-26(23(18)29)20-12-16(27)13-24-22(20)28/h9-11,19-21H,3-8,12-14H2,1-2H3,(H,24,28).
What are the key properties of 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione?
3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione has a molecular weight of 413.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(diethylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,5-dione is sourced from PubChem (CID 146296764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).