3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166077371) has the molecular formula C28H37FN4O4 and a molecular weight of 512.63 g/mol. Its IUPAC name is 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	166077371
Molecular Formula	C28H37FN4O4
Molecular Weight	512.63 g/mol
Exact Mass	512.28
IUPAC Name	3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	Cc1cc(C2CCN(C3CC(OC4CCNCC4)C3)CC2)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChI	InChI=1S/C28H37FN4O4/c1-16-12-21(26(29)22-15-33(28(36)25(16)22)23-2-3-24(34)31-27(23)35)17-6-10-32(11-7-17)18-13-20(14-18)37-19-4-8-30-9-5-19/h12,17-20,23,30H,2-11,13-15H2,1H3,(H,31,34,35)
InChIKey	ZJUKFVLPLJPAOW-UHFFFAOYSA-N
XLogP	2.37
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166077371) is 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc(C2CCN(C3CC(OC4CCNCC4)C3)CC2)c(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZJUKFVLPLJPAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN4O4/c1-16-12-21(26(29)22-15-33(28(36)25(16)22)23-2-3-24(34)31-27(23)35)17-6-10-32(11-7-17)18-13-20(14-18)37-19-4-8-30-9-5-19/h12,17-20,23,30H,2-11,13-15H2,1H3,(H,31,34,35).

What are the key properties of 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 512.63 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-fluoro-4-methyl-3-oxo-6-[1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166077371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).