3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

C25H34N4O4 — CID 172592012

IUPAC3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCN(CCC5CCNCC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H34N4O4/c30-23-4-3-22(24(31)27-23)29-16-18-15-20(1-2-21(18)25(29)32)33-19-8-13-28(14-9-19)12-7-17-5-10-26-11-6-17/h1-2,15,17,19,22,26H,3-14,16H2,(H,27,30,31)
InChIKeyKVQJMVVDTWTBCO-UHFFFAOYSA-N
MW454.57 g/mol
LogP1.68
Rot. Bonds6

About 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 172592012) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID172592012
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCN(CCC5CCNCC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H34N4O4/c30-23-4-3-22(24(31)27-23)29-16-18-15-20(1-2-21(18)25(29)32)33-19-8-13-28(14-9-19)12-7-17-5-10-26-11-6-17/h1-2,15,17,19,22,26H,3-14,16H2,(H,27,30,31)
InChIKeyKVQJMVVDTWTBCO-UHFFFAOYSA-N
XLogP1.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-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

3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[3-oxo-6-[4-[[1-(2-piperidin-4-ylethyl)piperidin-4-yl]methyl]piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171510727
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
3-[3-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154670400
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
3-[6-[(3R,5R)-1,5-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154234
3-[6-[(3R,5R)-5-ethoxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154242
3-[3-oxo-6-(3-piperidin-4-ylpropylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146526560
3-[6-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940573

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 172592012) is 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCN(CCC5CCNCC5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KVQJMVVDTWTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c30-23-4-3-22(24(31)27-23)29-16-18-15-20(1-2-21(18)25(29)32)33-19-8-13-28(14-9-19)12-7-17-5-10-26-11-6-17/h1-2,15,17,19,22,26H,3-14,16H2,(H,27,30,31).
What are the key properties of 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 454.57 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 172592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).