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

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

(3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166077406) has the molecular formula C29H39FN4O4 and a molecular weight of 526.65 g/mol. Its IUPAC name is (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	(3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	166077406
Molecular Formula	C29H39FN4O4
Molecular Weight	526.65 g/mol
Exact Mass	526.30
IUPAC Name	(3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	CC1(C)CN(C2CC(OC3CCNCC3)C2)CC[C@H]1c1ccc2c(c1F)CN([C@@H]1CCC(=O)NC1=O)C2=O
InChI	InChI=1S/C29H39FN4O4/c1-29(2)16-33(17-13-19(14-17)38-18-7-10-31-11-8-18)12-9-23(29)21-4-3-20-22(26(21)30)15-34(28(20)37)24-5-6-25(35)32-27(24)36/h3-4,17-19,23-24,31H,5-16H2,1-2H3,(H,32,35,36)/t17?,19?,23-,24+/m0/s1
InChIKey	KJQQAKGGOWHMCN-VUBUVVLWSA-N
XLogP	2.70
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	2.70
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 (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166077406) is (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(C)CN(C2CC(OC3CCNCC3)C2)CC[C@H]1c1ccc2c(c1F)CN([C@@H]1CCC(=O)NC1=O)C2=O.

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

The InChIKey is KJQQAKGGOWHMCN-VUBUVVLWSA-N. The full InChI is InChI=1S/C29H39FN4O4/c1-29(2)16-33(17-13-19(14-17)38-18-7-10-31-11-8-18)12-9-23(29)21-4-3-20-22(26(21)30)15-34(28(20)37)24-5-6-25(35)32-27(24)36/h3-4,17-19,23-24,31H,5-16H2,1-2H3,(H,32,35,36)/t17?,19?,23-,24+/m0/s1.

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

(3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 526.65 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-[(4R)-3,3-dimethyl-1-(3-piperidin-4-yloxycyclobutyl)piperidin-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166077406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).