3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

C22H31N3O3 — CID 170325363

IUPAC3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCN(C4CCC(CO)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C22H31N3O3/c26-15-16-1-5-18(6-2-16)24-11-13-25(14-12-24)19-7-3-17(4-8-19)20-9-10-21(27)23-22(20)28/h3-4,7-8,16,18,20,26H,1-2,5-6,9-15H2,(H,23,27,28)
InChIKeyAEKVDKWTUXYJOM-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.88
Rot. Bonds4

About 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 170325363) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID170325363
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCN(C4CCC(CO)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C22H31N3O3/c26-15-16-1-5-18(6-2-16)24-11-13-25(14-12-24)19-7-3-17(4-8-19)20-9-10-21(27)23-22(20)28/h3-4,7-8,16,18,20,26H,1-2,5-6,9-15H2,(H,23,27,28)
InChIKeyAEKVDKWTUXYJOM-UHFFFAOYSA-N
XLogP1.88
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197826
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171652178
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 170325363) is 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCN(C4CCC(CO)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is AEKVDKWTUXYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-15-16-1-5-18(6-2-16)24-11-13-25(14-12-24)19-7-3-17(4-8-19)20-9-10-21(27)23-22(20)28/h3-4,7-8,16,18,20,26H,1-2,5-6,9-15H2,(H,23,27,28).
What are the key properties of 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 385.51 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170325363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).