3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione

C29H32N2O4 — CID 167478600

IUPAC3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(OCc3ccc(CNCCCCOc4ccccc4)cc3)cc2)C(=O)N1
InChIInChI=1S/C29H32N2O4/c32-28-17-16-27(29(33)31-28)24-12-14-26(15-13-24)35-21-23-10-8-22(9-11-23)20-30-18-4-5-19-34-25-6-2-1-3-7-25/h1-3,6-15,27,30H,4-5,16-21H2,(H,31,32,33)
InChIKeyBQVIKPOZQOJICF-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.73
Rot. Bonds12

About 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione

3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione (PubChem CID 167478600) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione
PubChem CID167478600
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(OCc3ccc(CNCCCCOc4ccccc4)cc3)cc2)C(=O)N1
InChIInChI=1S/C29H32N2O4/c32-28-17-16-27(29(33)31-28)24-12-14-26(15-13-24)35-21-23-10-8-22(9-11-23)20-30-18-4-5-19-34-25-6-2-1-3-7-25/h1-3,6-15,27,30H,4-5,16-21H2,(H,31,32,33)
InChIKeyBQVIKPOZQOJICF-UHFFFAOYSA-N
XLogP4.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione (CID 167478600) is 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(OCc3ccc(CNCCCCOc4ccccc4)cc3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione?
The InChIKey is BQVIKPOZQOJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c32-28-17-16-27(29(33)31-28)24-12-14-26(15-13-24)35-21-23-10-8-22(9-11-23)20-30-18-4-5-19-34-25-6-2-1-3-7-25/h1-3,6-15,27,30H,4-5,16-21H2,(H,31,32,33).
What are the key properties of 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione?
3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione has a molecular weight of 472.59 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167478600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).