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

C12H23N3O — CID 107530511

IUPAC5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCC1CCC(CN)CN1CC1CCC(=O)N1
InChIInChI=1S/C12H23N3O/c1-9-2-3-10(6-13)7-15(9)8-11-4-5-12(16)14-11/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyZPTIIEAQONLVSU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds3

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

5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 107530511) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID107530511
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCC1CCC(CN)CN1CC1CCC(=O)N1
InChIInChI=1S/C12H23N3O/c1-9-2-3-10(6-13)7-15(9)8-11-4-5-12(16)14-11/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyZPTIIEAQONLVSU-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one (CID 107530511) is 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one is CC1CCC(CN)CN1CC1CCC(=O)N1.
What is the InChIKey of 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZPTIIEAQONLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-2-3-10(6-13)7-15(9)8-11-4-5-12(16)14-11/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one?
5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).