3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

C24H28N2O2 — CID 15560447

IUPAC3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESCc1ccc(CN2CCC(C3(c4ccccc4)CCC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)24(20-5-3-2-4-6-20)14-11-22(27)25-23(24)28/h2-10,21H,11-17H2,1H3,(H,25,27,28)
InChIKeyYFBSRLFXFGHCCG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.58
Rot. Bonds4

About 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (PubChem CID 15560447) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
PubChem CID15560447
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESCc1ccc(CN2CCC(C3(c4ccccc4)CCC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)24(20-5-3-2-4-6-20)14-11-22(27)25-23(24)28/h2-10,21H,11-17H2,1H3,(H,25,27,28)
InChIKeyYFBSRLFXFGHCCG-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.58
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 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (CID 15560447) is 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is Cc1ccc(CN2CCC(C3(c4ccccc4)CCC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The InChIKey is YFBSRLFXFGHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)24(20-5-3-2-4-6-20)14-11-22(27)25-23(24)28/h2-10,21H,11-17H2,1H3,(H,25,27,28).
What are the key properties of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione has a molecular weight of 376.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 15560447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).