3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H35N3O4 — CID 165084693

IUPAC3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CCC(CN2CCC(O)(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C26H35N3O4/c1-17-2-4-18(5-3-17)15-28-12-10-26(33,11-13-28)20-6-7-21-19(14-20)16-29(25(21)32)22-8-9-23(30)27-24(22)31/h6-7,14,17-18,22,33H,2-5,8-13,15-16H2,1H3,(H,27,30,31)
InChIKeyVRSWQMMFCFYPOF-UHFFFAOYSA-N
MW453.58 g/mol
LogP2.56
Rot. Bonds4

About 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165084693) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165084693
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CCC(CN2CCC(O)(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C26H35N3O4/c1-17-2-4-18(5-3-17)15-28-12-10-26(33,11-13-28)20-6-7-21-19(14-20)16-29(25(21)32)22-8-9-23(30)27-24(22)31/h6-7,14,17-18,22,33H,2-5,8-13,15-16H2,1H3,(H,27,30,31)
InChIKeyVRSWQMMFCFYPOF-UHFFFAOYSA-N
XLogP2.56
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 166469598
3-[6-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293520
3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293540
1-[[2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carbonitrile
CID 167294327
3-[6-[4-hydroxy-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293537
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
(3S)-3-[6-[4-(2-azaspiro[3.5]nonan-7-ylmethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171656880
(3S)-3-[6-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171657570
3-[6-[4-hydroxy-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177017976
4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 178160768
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165084693) is 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1CCC(CN2CCC(O)(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1.
What is the InChIKey of 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is VRSWQMMFCFYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-17-2-4-18(5-3-17)15-28-12-10-26(33,11-13-28)20-6-7-21-19(14-20)16-29(25(21)32)22-8-9-23(30)27-24(22)31/h6-7,14,17-18,22,33H,2-5,8-13,15-16H2,1H3,(H,27,30,31).
What are the key properties of 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 453.58 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-hydroxy-1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165084693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).