3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H36N4O3 — CID 167727191

IUPAC3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC(CC1CCCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1)C1CCCC1
InChIInChI=1S/C26H36N4O3/c27-22(19-5-1-2-6-19)13-17-4-3-11-29(14-17)15-18-7-8-21-20(12-18)16-30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,12,17,19,22-23H,1-6,9-11,13-16,27H2,(H,28,31,32)
InChIKeyPOLGMCRPQPSDLE-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.57
Rot. Bonds6

About 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167727191) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167727191
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC(CC1CCCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1)C1CCCC1
InChIInChI=1S/C26H36N4O3/c27-22(19-5-1-2-6-19)13-17-4-3-11-29(14-17)15-18-7-8-21-20(12-18)16-30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,12,17,19,22-23H,1-6,9-11,13-16,27H2,(H,28,31,32)
InChIKeyPOLGMCRPQPSDLE-UHFFFAOYSA-N
XLogP2.57
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737664
3-[6-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741414
3-[6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.1]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716957
3-[6-[[(4aS,7aR)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716084
3-[6-[[3-(azetidin-3-ylmethyl)azetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727588
3-[6-[[(3R,4R)-4-amino-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717028
3-[6-[[(2-amino-2-cyclobutylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741361
3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738371
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[6-[(4-amino-3-ethylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721276
3-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724018
3-[6-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725861

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167727191) is 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC(CC1CCCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1)C1CCCC1.
What is the InChIKey of 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is POLGMCRPQPSDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c27-22(19-5-1-2-6-19)13-17-4-3-11-29(14-17)15-18-7-8-21-20(12-18)16-30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,12,17,19,22-23H,1-6,9-11,13-16,27H2,(H,28,31,32).
What are the key properties of 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 452.60 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).