4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one

C15H21N3O2 — CID 31097133

IUPAC4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one
SMILESCN(C)c1ccc(CCC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-17(2)13-6-3-12(4-7-13)5-8-15(20)18-10-9-16-14(19)11-18/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,19)
InChIKeyNAAKCAYKXFRHLV-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.64
Rot. Bonds4

About 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one

4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one (PubChem CID 31097133) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one
PubChem CID31097133
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one
SMILESCN(C)c1ccc(CCC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-17(2)13-6-3-12(4-7-13)5-8-15(20)18-10-9-16-14(19)11-18/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,19)
InChIKeyNAAKCAYKXFRHLV-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one (CID 31097133) is 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one is CN(C)c1ccc(CCC(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one?
The InChIKey is NAAKCAYKXFRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(2)13-6-3-12(4-7-13)5-8-15(20)18-10-9-16-14(19)11-18/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,19).
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one?
4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]propanoyl]piperazin-2-one is sourced from PubChem (CID 31097133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).