1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide

C18H28N4O2 — CID 175658372

IUPAC1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1C(=O)CCN(C)c1cccc(C)c1
InChIInChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)21(4)9-8-17(23)22-11-10-20(3)13-16(22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24)
InChIKeyVAWOWCFQQWARLD-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.71
Rot. Bonds5

About 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide

1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide (PubChem CID 175658372) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
PubChem CID175658372
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1C(=O)CCN(C)c1cccc(C)c1
InChIInChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)21(4)9-8-17(23)22-11-10-20(3)13-16(22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24)
InChIKeyVAWOWCFQQWARLD-UHFFFAOYSA-N
XLogP0.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide (CID 175658372) is 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C)CCN1C(=O)CCN(C)c1cccc(C)c1.
What is the InChIKey of 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide?
The InChIKey is VAWOWCFQQWARLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)21(4)9-8-17(23)22-11-10-20(3)13-16(22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24).
What are the key properties of 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide?
1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 175658372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).