1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one

C21H24N2O2 — CID 56819311

IUPAC1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESCN1CCC(C(=O)N2CCCC2c2cccc3ccccc23)CC1=O
InChIInChI=1S/C21H24N2O2/c1-22-13-11-16(14-20(22)24)21(25)23-12-5-10-19(23)18-9-4-7-15-6-2-3-8-17(15)18/h2-4,6-9,16,19H,5,10-14H2,1H3
InChIKeyYGACWAYDVWRAOR-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.37
Rot. Bonds2

About 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one

1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 56819311) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID56819311
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESCN1CCC(C(=O)N2CCCC2c2cccc3ccccc23)CC1=O
InChIInChI=1S/C21H24N2O2/c1-22-13-11-16(14-20(22)24)21(25)23-12-5-10-19(23)18-9-4-7-15-6-2-3-8-17(15)18/h2-4,6-9,16,19H,5,10-14H2,1H3
InChIKeyYGACWAYDVWRAOR-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one (CID 56819311) is 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one is CN1CCC(C(=O)N2CCCC2c2cccc3ccccc23)CC1=O.
What is the InChIKey of 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is YGACWAYDVWRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22-13-11-16(14-20(22)24)21(25)23-12-5-10-19(23)18-9-4-7-15-6-2-3-8-17(15)18/h2-4,6-9,16,19H,5,10-14H2,1H3.
What are the key properties of 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one?
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 336.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 56819311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).