3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C18H20N2O3 — CID 146601936

IUPAC3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3C3CCCC3)C2=O)C(=O)N1
InChIInChI=1S/C18H20N2O3/c21-16-9-8-15(17(22)19-16)20-10-14-12(11-4-1-2-5-11)6-3-7-13(14)18(20)23/h3,6-7,11,15H,1-2,4-5,8-10H2,(H,19,21,22)
InChIKeyRUMBUDGXKNRSAH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds2

About 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 146601936) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID146601936
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3C3CCCC3)C2=O)C(=O)N1
InChIInChI=1S/C18H20N2O3/c21-16-9-8-15(17(22)19-16)20-10-14-12(11-4-1-2-5-11)6-3-7-13(14)18(20)23/h3,6-7,11,15H,1-2,4-5,8-10H2,(H,19,21,22)
InChIKeyRUMBUDGXKNRSAH-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(7-cyclopentyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146547459
3-(4-chloro-7-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342054
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
ethane;3-[7-(1-methylpiperidin-4-yl)-3-sulfanylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176713512
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
(4S)-4-(7-cyclopropyl-3-oxo-1H-isoindol-2-yl)cycloheptane-1,3-dione
CID 161390148
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-4-carbaldehyde
CID 165136850
3-[7-[3-[2-[3-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149278520
3-[7-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416351

Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 146601936) is 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3c(cccc3C3CCCC3)C2=O)C(=O)N1.
What is the InChIKey of 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is RUMBUDGXKNRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-9-8-15(17(22)19-16)20-10-14-12(11-4-1-2-5-11)6-3-7-13(14)18(20)23/h3,6-7,11,15H,1-2,4-5,8-10H2,(H,19,21,22).
What are the key properties of 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 146601936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).