4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione

C24H30N2O2 — CID 19090043

IUPAC4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione
SMILESCN(Cc1ccccc1)C(C)(C)CCC1(c2ccccc2)CC(=O)NC(=O)C1
InChIInChI=1S/C24H30N2O2/c1-23(2,26(3)18-19-10-6-4-7-11-19)14-15-24(20-12-8-5-9-13-20)16-21(27)25-22(28)17-24/h4-13H,14-18H2,1-3H3,(H,25,27,28)
InChIKeyHSUYWQNWUVLFCS-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.05
Rot. Bonds7

About 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione

4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione (PubChem CID 19090043) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione
PubChem CID19090043
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione
SMILESCN(Cc1ccccc1)C(C)(C)CCC1(c2ccccc2)CC(=O)NC(=O)C1
InChIInChI=1S/C24H30N2O2/c1-23(2,26(3)18-19-10-6-4-7-11-19)14-15-24(20-12-8-5-9-13-20)16-21(27)25-22(28)17-24/h4-13H,14-18H2,1-3H3,(H,25,27,28)
InChIKeyHSUYWQNWUVLFCS-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione?
The IUPAC name of 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione (CID 19090043) is 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione is CN(Cc1ccccc1)C(C)(C)CCC1(c2ccccc2)CC(=O)NC(=O)C1.
What is the InChIKey of 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione?
The InChIKey is HSUYWQNWUVLFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-23(2,26(3)18-19-10-6-4-7-11-19)14-15-24(20-12-8-5-9-13-20)16-21(27)25-22(28)17-24/h4-13H,14-18H2,1-3H3,(H,25,27,28).
What are the key properties of 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione?
4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione has a molecular weight of 378.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 19090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).