cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate

About cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate (PubChem CID 156512102) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Name	cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
PubChem CID	156512102
Molecular Formula	C27H35N3O6
Molecular Weight	497.59 g/mol
Exact Mass	497.25
IUPAC Name	cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
SMILES	COC(=O)[C@@H]1CC[C@H](CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChI	InChI=1S/C27H35N3O6/c1-35-27(34)18-6-5-17(12-18)14-29-11-3-2-4-20(29)16-36-21-7-8-22-19(13-21)15-30(26(22)33)23-9-10-24(31)28-25(23)32/h7-8,13,17-18,20,23H,2-6,9-12,14-16H2,1H3,(H,28,31,32)/t17-,18+,20+,23?/m0/s1
InChIKey	BYVYCCUNWUQUIV-VCUVOWSBSA-N
XLogP	2.27
TPSA	105.25 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?

The IUPAC name of cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate (CID 156512102) is cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate.

What is the SMILES notation for cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?

The canonical SMILES for cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@H](CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?

The InChIKey is BYVYCCUNWUQUIV-VCUVOWSBSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-35-27(34)18-6-5-17(12-18)14-29-11-3-2-4-20(29)16-36-21-7-8-22-19(13-21)15-30(26(22)33)23-9-10-24(31)28-25(23)32/h7-8,13,17-18,20,23H,2-6,9-12,14-16H2,1H3,(H,28,31,32)/t17-,18+,20+,23?/m0/s1.

What are the key properties of cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?

cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-methyl (1R,3S)-3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 156512102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).