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

C12H20N2O — CID 104788333

IUPAC3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCCN1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H20N2O/c1-2-14-7-5-10(6-8-14)13-11-3-4-12(15)9-11/h9-10,13H,2-8H2,1H3
InChIKeyQCCNHJJPZVEQRK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds3

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

3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one (PubChem CID 104788333) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
PubChem CID104788333
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCCN1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H20N2O/c1-2-14-7-5-10(6-8-14)13-11-3-4-12(15)9-11/h9-10,13H,2-8H2,1H3
InChIKeyQCCNHJJPZVEQRK-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one (CID 104788333) is 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one is CCN1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The InChIKey is QCCNHJJPZVEQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14-7-5-10(6-8-14)13-11-3-4-12(15)9-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).