[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid

C20H24N4O5 — CID 174190318

IUPAC[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O5/c25-17-8-7-16(18(26)23-17)24-10-14-13(19(24)27)5-2-6-15(14)21-11-3-1-4-12(9-11)22-20(28)29/h2,5-6,11-12,16,21-22H,1,3-4,7-10H2,(H,28,29)(H,23,25,26)
InChIKeyALXNVKQAAOYVHH-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.44
Rot. Bonds4

About [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid

[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid (PubChem CID 174190318) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
PubChem CID174190318
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O5/c25-17-8-7-16(18(26)23-17)24-10-14-13(19(24)27)5-2-6-15(14)21-11-3-1-4-12(9-11)22-20(28)29/h2,5-6,11-12,16,21-22H,1,3-4,7-10H2,(H,28,29)(H,23,25,26)
InChIKeyALXNVKQAAOYVHH-UHFFFAOYSA-N
XLogP1.44
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,2R,4R)-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-fluorocyclohexyl]carbamate
CID 170702237
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
CID 138611897
3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
CID 138611916
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]-N-methylcarbamate
CID 175995361
3-[7-[[[3-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723419
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid (CID 174190318) is [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid is O=C(O)NC1CCCC(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is ALXNVKQAAOYVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c25-17-8-7-16(18(26)23-17)24-10-14-13(19(24)27)5-2-6-15(14)21-11-3-1-4-12(9-11)22-20(28)29/h2,5-6,11-12,16,21-22H,1,3-4,7-10H2,(H,28,29)(H,23,25,26).
What are the key properties of [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid?
[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 400.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 174190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).