3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H37N5O4 — CID 175995483

IUPAC3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCC(N(CCCN2CCOCC2)c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C26H37N5O4/c27-18-5-7-19(8-6-18)30(12-2-11-29-13-15-35-16-14-29)22-4-1-3-20-21(22)17-31(26(20)34)23-9-10-24(32)28-25(23)33/h1,3-4,18-19,23H,2,5-17,27H2,(H,28,32,33)
InChIKeyVXEIMMYABYMIEX-UHFFFAOYSA-N
MW483.61 g/mol
LogP1.25
Rot. Bonds7

About 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 175995483) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID175995483
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCC(N(CCCN2CCOCC2)c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C26H37N5O4/c27-18-5-7-19(8-6-18)30(12-2-11-29-13-15-35-16-14-29)22-4-1-3-20-21(22)17-31(26(20)34)23-9-10-24(32)28-25(23)33/h1,3-4,18-19,23H,2,5-17,27H2,(H,28,32,33)
InChIKeyVXEIMMYABYMIEX-UHFFFAOYSA-N
XLogP1.25
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[7-[[4-(aminomethyl)cyclohexyl]-pentylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175995384
3-[7-[[(1R,3R)-3-(aminomethyl)cyclopentyl]-pentylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701967
3-[7-(10-morpholin-4-yldecylsulfanyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154689403
3-[7-(8-morpholin-4-yloctylsulfanyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162427128
3-[7-(9-morpholin-4-ylnon-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166593189
3-[7-[2-cyclopropylethyl-[4-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175995391
3-[7-[[(4-aminocyclohexyl)-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733949
3-[7-[2-cyclopropylethyl-[4-(1,3-difluoropropan-2-ylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175995459
3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176781317
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701920
3-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 170701919

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 175995483) is 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CCC(N(CCCN2CCOCC2)c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is VXEIMMYABYMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c27-18-5-7-19(8-6-18)30(12-2-11-29-13-15-35-16-14-29)22-4-1-3-20-21(22)17-31(26(20)34)23-9-10-24(32)28-25(23)33/h1,3-4,18-19,23H,2,5-17,27H2,(H,28,32,33).
What are the key properties of 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.61 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(4-aminocyclohexyl)-(3-morpholin-4-ylpropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175995483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).