3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one

C11H18N2O — CID 104788241

IUPAC3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCN1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C11H18N2O/c1-13-6-4-9(5-7-13)12-10-2-3-11(14)8-10/h8-9,12H,2-7H2,1H3
InChIKeyMDGRQANLQQNYCG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds2

About 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one

3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one (PubChem CID 104788241) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one
PubChem CID104788241
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCN1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C11H18N2O/c1-13-6-4-9(5-7-13)12-10-2-3-11(14)8-10/h8-9,12H,2-7H2,1H3
InChIKeyMDGRQANLQQNYCG-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one (CID 104788241) is 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one is CN1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The InChIKey is MDGRQANLQQNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-6-4-9(5-7-13)12-10-2-3-11(14)8-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).