(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

C11H20N2O — CID 67158038

IUPAC(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(C[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C11H20N2O/c1-9-4-6-13(7-5-9)8-10-2-3-11(14)12-10/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyHZLUJKJSXORMJF-JTQLQIEISA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds2

About (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 67158038) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID67158038
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(C[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C11H20N2O/c1-9-4-6-13(7-5-9)8-10-2-3-11(14)12-10/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyHZLUJKJSXORMJF-JTQLQIEISA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (CID 67158038) is (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is CC1CCN(C[C@@H]2CCC(=O)N2)CC1.
What is the InChIKey of (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is HZLUJKJSXORMJF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-4-6-13(7-5-9)8-10-2-3-11(14)12-10/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 67158038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).