4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one

C26H32N2O2 — CID 15996954

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1ccc(CCN2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C26H32N2O2/c1-20-7-9-21(10-8-20)11-16-28-19-24(18-25(28)29)26(30)27-14-12-23(13-15-27)17-22-5-3-2-4-6-22/h2-10,23-24H,11-19H2,1H3
InChIKeyWGMHQSYNMXHAFK-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.87
Rot. Bonds6

About 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 15996954) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
PubChem CID15996954
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1ccc(CCN2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C26H32N2O2/c1-20-7-9-21(10-8-20)11-16-28-19-24(18-25(28)29)26(30)27-14-12-23(13-15-27)17-22-5-3-2-4-6-22/h2-10,23-24H,11-19H2,1H3
InChIKeyWGMHQSYNMXHAFK-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one (CID 15996954) is 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one is Cc1ccc(CCN2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is WGMHQSYNMXHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-20-7-9-21(10-8-20)11-16-28-19-24(18-25(28)29)26(30)27-14-12-23(13-15-27)17-22-5-3-2-4-6-22/h2-10,23-24H,11-19H2,1H3.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 404.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 15996954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).