4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C20H28N2O2 — CID 24981746

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-14-4-6-17(7-5-14)12-21-13-18(9-19(21)23)20(24)22-10-15(2)8-16(3)11-22/h4-7,15-16,18H,8-13H2,1-3H3
InChIKeyGDLKVKJUKWCJIE-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.85
Rot. Bonds3

About 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 24981746) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID24981746
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-14-4-6-17(7-5-14)12-21-13-18(9-19(21)23)20(24)22-10-15(2)8-16(3)11-22/h4-7,15-16,18H,8-13H2,1-3H3
InChIKeyGDLKVKJUKWCJIE-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 24981746) is 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC(C(=O)N3CC(C)CC(C)C3)CC2=O)cc1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is GDLKVKJUKWCJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-4-6-17(7-5-14)12-21-13-18(9-19(21)23)20(24)22-10-15(2)8-16(3)11-22/h4-7,15-16,18H,8-13H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 24981746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).