3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O3 — CID 178005802

IUPAC3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(C2CCCN2c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CCNCC1
InChIInChI=1S/C23H30N4O3/c1-23(9-11-24-12-10-23)19-6-3-13-26(19)17-5-2-4-15-16(17)14-27(22(15)30)18-7-8-20(28)25-21(18)29/h2,4-5,18-19,24H,3,6-14H2,1H3,(H,25,28,29)
InChIKeyYRJLJEAUKSTAPA-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.81
Rot. Bonds3

About 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 178005802) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID178005802
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(C2CCCN2c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CCNCC1
InChIInChI=1S/C23H30N4O3/c1-23(9-11-24-12-10-23)19-6-3-13-26(19)17-5-2-4-15-16(17)14-27(22(15)30)18-7-8-20(28)25-21(18)29/h2,4-5,18-19,24H,3,6-14H2,1H3,(H,25,28,29)
InChIKeyYRJLJEAUKSTAPA-UHFFFAOYSA-N
XLogP1.81
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491722
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-4-carbaldehyde
CID 165136850
3-[3-oxo-7-(3-piperidin-1-ylazetidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174065870
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3R)-3-(3-oxo-7-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 175756568
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[[4-(azocan-5-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734383
3-[7-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722832
3-[7-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726631
3-[7-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739192

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 178005802) is 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(C2CCCN2c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CCNCC1.
What is the InChIKey of 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YRJLJEAUKSTAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(9-11-24-12-10-23)19-6-3-13-26(19)17-5-2-4-15-16(17)14-27(22(15)30)18-7-8-20(28)25-21(18)29/h2,4-5,18-19,24H,3,6-14H2,1H3,(H,25,28,29).
What are the key properties of 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 410.52 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 178005802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).