1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one

C19H28N2O — CID 86782293

IUPAC1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(CN1CCC(N2CCCC2=O)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-19(2,16-7-4-3-5-8-16)15-20-13-10-17(11-14-20)21-12-6-9-18(21)22/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyOVJHLDRPAZRKBY-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.05
Rot. Bonds4

About 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 86782293) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID86782293
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(CN1CCC(N2CCCC2=O)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-19(2,16-7-4-3-5-8-16)15-20-13-10-17(11-14-20)21-12-6-9-18(21)22/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyOVJHLDRPAZRKBY-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one (CID 86782293) is 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one is CC(C)(CN1CCC(N2CCCC2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is OVJHLDRPAZRKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(2,16-7-4-3-5-8-16)15-20-13-10-17(11-14-20)21-12-6-9-18(21)22/h3-5,7-8,17H,6,9-15H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 300.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 86782293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).