phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate

C26H28N4O5 — CID 167733899

IUPACphenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate
SMILESO=C1CCC(N2Cc3ccc(CN4CCC(NC(=O)Oc5ccccc5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O5/c31-23-9-8-22(24(32)28-23)30-16-18-7-6-17(14-21(18)25(30)33)15-29-12-10-19(11-13-29)27-26(34)35-20-4-2-1-3-5-20/h1-7,14,19,22H,8-13,15-16H2,(H,27,34)(H,28,31,32)
InChIKeyWHYZQQLJBFCRAH-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.20
Rot. Bonds5

About phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate

phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate (PubChem CID 167733899) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate
PubChem CID167733899
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Namephenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate
SMILESO=C1CCC(N2Cc3ccc(CN4CCC(NC(=O)Oc5ccccc5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O5/c31-23-9-8-22(24(32)28-23)30-16-18-7-6-17(14-21(18)25(30)33)15-29-12-10-19(11-13-29)27-26(34)35-20-4-2-1-3-5-20/h1-7,14,19,22H,8-13,15-16H2,(H,27,34)(H,28,31,32)
InChIKeyWHYZQQLJBFCRAH-UHFFFAOYSA-N
XLogP2.20
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[4-(2-amino-1-phenylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734560
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
3-[5-[[4-(3-aminooxetan-3-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731304
3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722682
3-[5-[[4-(3-amino-3-methylbutyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714658
3-[5-[[4-(4-aminophenyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723188
3-[5-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730458
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298
3-[3-oxo-5-[[4-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722857

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate (CID 167733899) is phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate is O=C1CCC(N2Cc3ccc(CN4CCC(NC(=O)Oc5ccccc5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate?
The InChIKey is WHYZQQLJBFCRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c31-23-9-8-22(24(32)28-23)30-16-18-7-6-17(14-21(18)25(30)33)15-29-12-10-19(11-13-29)27-26(34)35-20-4-2-1-3-5-20/h1-7,14,19,22H,8-13,15-16H2,(H,27,34)(H,28,31,32).
What are the key properties of phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate?
phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate has a molecular weight of 476.53 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 167733899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).