5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

C11H21N3O — CID 107530604

IUPAC5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CN(CC2CCC(=O)N2)CCC1N
InChIInChI=1S/C11H21N3O/c1-8-6-14(5-4-10(8)12)7-9-2-3-11(15)13-9/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyHTFWIVOCMRBLSH-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.07
Rot. Bonds2

About 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 107530604) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID107530604
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CN(CC2CCC(=O)N2)CCC1N
InChIInChI=1S/C11H21N3O/c1-8-6-14(5-4-10(8)12)7-9-2-3-11(15)13-9/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyHTFWIVOCMRBLSH-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (CID 107530604) is 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is CC1CN(CC2CCC(=O)N2)CCC1N.
What is the InChIKey of 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is HTFWIVOCMRBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-6-14(5-4-10(8)12)7-9-2-3-11(15)13-9/h8-10H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).