1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one

C16H22N2O — CID 155201545

IUPAC1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1ccc(C2CCNCC2)c(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O/c1-12-4-5-14(13-6-8-17-9-7-13)15(11-12)18-10-2-3-16(18)19/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeySXVRZEBWYVKYRB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.59
Rot. Bonds2

About 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one

1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 155201545) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
PubChem CID155201545
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1ccc(C2CCNCC2)c(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O/c1-12-4-5-14(13-6-8-17-9-7-13)15(11-12)18-10-2-3-16(18)19/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeySXVRZEBWYVKYRB-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one (CID 155201545) is 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one is Cc1ccc(C2CCNCC2)c(N2CCCC2=O)c1.
What is the InChIKey of 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is SXVRZEBWYVKYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-5-14(13-6-8-17-9-7-13)15(11-12)18-10-2-3-16(18)19/h4-5,11,13,17H,2-3,6-10H2,1H3.
What are the key properties of 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one?
1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 155201545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).