3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione

C22H32N2O4 — CID 171572244

IUPAC3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESCOC(CCCN1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1)OC
InChIInChI=1S/C22H32N2O4/c1-27-21(28-2)4-3-13-24-14-11-17(12-15-24)16-5-7-18(8-6-16)19-9-10-20(25)23-22(19)26/h5-8,17,19,21H,3-4,9-15H2,1-2H3,(H,23,25,26)
InChIKeyOYBPFVXSROWYFF-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.79
Rot. Bonds8

About 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione

3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 171572244) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione
PubChem CID171572244
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESCOC(CCCN1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1)OC
InChIInChI=1S/C22H32N2O4/c1-27-21(28-2)4-3-13-24-14-11-17(12-15-24)16-5-7-18(8-6-16)19-9-10-20(25)23-22(19)26/h5-8,17,19,21H,3-4,9-15H2,1-2H3,(H,23,25,26)
InChIKeyOYBPFVXSROWYFF-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione (CID 171572244) is 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione is COC(CCCN1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1)OC.
What is the InChIKey of 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione?
The InChIKey is OYBPFVXSROWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-27-21(28-2)4-3-13-24-14-11-17(12-15-24)16-5-7-18(8-6-16)19-9-10-20(25)23-22(19)26/h5-8,17,19,21H,3-4,9-15H2,1-2H3,(H,23,25,26).
What are the key properties of 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione?
3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 388.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171572244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).