1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one

C13H24N2O — CID 47520540

IUPAC1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESCC1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-12-5-10-14(11-6-12)7-3-9-15-8-2-4-13(15)16/h12H,2-11H2,1H3
InChIKeyGXHZJOLMZQTKCO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one

1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 47520540) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID47520540
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESCC1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-12-5-10-14(11-6-12)7-3-9-15-8-2-4-13(15)16/h12H,2-11H2,1H3
InChIKeyGXHZJOLMZQTKCO-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one (CID 47520540) is 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one is CC1CCN(CCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is GXHZJOLMZQTKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12-5-10-14(11-6-12)7-3-9-15-8-2-4-13(15)16/h12H,2-11H2,1H3.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 47520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).