[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium

C24H26N5O6+ — CID 148840261

IUPAC[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium
SMILES[NH3+]CC(=O)OCN1C(=O)CCC(N2Cc3cc(CNC(=O)Nc4ccccc4)ccc3C2=O)C1=O
InChIInChI=1S/C24H25N5O6/c25-11-21(31)35-14-29-20(30)9-8-19(23(29)33)28-13-16-10-15(6-7-18(16)22(28)32)12-26-24(34)27-17-4-2-1-3-5-17/h1-7,10,19H,8-9,11-14,25H2,(H2,26,27,34)/p+1
InChIKeyOVKIBZFDXHEPSE-UHFFFAOYSA-O
MW480.50 g/mol
LogP0.22
Rot. Bonds7

About [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium

[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium (PubChem CID 148840261) has the molecular formula C24H26N5O6+ and a molecular weight of 480.50 g/mol. Its IUPAC name is [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium
PubChem CID148840261
Molecular FormulaC24H26N5O6+
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium
SMILES[NH3+]CC(=O)OCN1C(=O)CCC(N2Cc3cc(CNC(=O)Nc4ccccc4)ccc3C2=O)C1=O
InChIInChI=1S/C24H25N5O6/c25-11-21(31)35-14-29-20(30)9-8-19(23(29)33)28-13-16-10-15(6-7-18(16)22(28)32)12-26-24(34)27-17-4-2-1-3-5-17/h1-7,10,19H,8-9,11-14,25H2,(H2,26,27,34)/p+1
InChIKeyOVKIBZFDXHEPSE-UHFFFAOYSA-O
XLogP0.22
TPSA152.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methyl benzoate
CID 59443299
[3-[6-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2,2-dimethylpropanoate
CID 46199175
[3-[6-[[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoylamino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2,2-dimethylpropanoate
CID 146492117
[3-[6-[[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]carbamoylamino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl dihydrogen phosphate
CID 146492035
[3-[6-[[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl ethyl hydrogen phosphite
CID 145349881
[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoylamino]-2-methylphenyl] 2-aminoacetate
CID 46198553
3-[6-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168960538
[3-[6-[[[2,2-difluoro-2-(4-fluorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-(dimethylamino)-2-methylbutanoate
CID 130219314
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[4-[(4-methylphenyl)methoxy]phenyl]urea;methanamine
CID 176989736
[3-[6-[[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-(dimethylamino)-2-methylbutanoate
CID 130219326
(2S)-2-amino-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-phenylpropanamide
CID 176805340
1-[4-[[4-(aminomethyl)-2-cyclopropylphenyl]methylamino]phenyl]-3-[[2-(2,5-dioxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 174249814

Frequently Asked Questions

What is the IUPAC name of [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium?
The IUPAC name of [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium (CID 148840261) is [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium?
The canonical SMILES for [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium is [NH3+]CC(=O)OCN1C(=O)CCC(N2Cc3cc(CNC(=O)Nc4ccccc4)ccc3C2=O)C1=O.
What is the InChIKey of [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium?
The InChIKey is OVKIBZFDXHEPSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N5O6/c25-11-21(31)35-14-29-20(30)9-8-19(23(29)33)28-13-16-10-15(6-7-18(16)22(28)32)12-26-24(34)27-17-4-2-1-3-5-17/h1-7,10,19H,8-9,11-14,25H2,(H2,26,27,34)/p+1.
What are the key properties of [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium?
[2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium has a molecular weight of 480.50 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2,6-dioxo-3-[3-oxo-6-[(phenylcarbamoylamino)methyl]-1H-isoindol-2-yl]piperidin-1-yl]methoxy]-2-oxoethyl]azanium is sourced from PubChem (CID 148840261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).