3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one

C13H20N2O2 — CID 113453189

IUPAC3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-10(14-11-5-6-12(16)9-11)13(17)15-7-3-2-4-8-15/h9-10,14H,2-8H2,1H3
InChIKeyVZSOUVUTQBZQLK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds3

About 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one

3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one (PubChem CID 113453189) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
PubChem CID113453189
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-10(14-11-5-6-12(16)9-11)13(17)15-7-3-2-4-8-15/h9-10,14H,2-8H2,1H3
InChIKeyVZSOUVUTQBZQLK-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 104788696
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788692
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one (CID 113453189) is 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one is CC(NC1=CC(=O)CC1)C(=O)N1CCCCC1.
What is the InChIKey of 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
The InChIKey is VZSOUVUTQBZQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14-11-5-6-12(16)9-11)13(17)15-7-3-2-4-8-15/h9-10,14H,2-8H2,1H3.
What are the key properties of 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one?
3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 113453189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).