4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

C13H26N4O2 — CID 3066982

IUPAC4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3/h5-11H2,1-4H3
InChIKeyONHNSQZTFHEAFG-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.14
Rot. Bonds3

About 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (PubChem CID 3066982) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
PubChem CID3066982
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3/h5-11H2,1-4H3
InChIKeyONHNSQZTFHEAFG-UHFFFAOYSA-N
XLogP1.14
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-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 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (CID 3066982) is 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is CCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1.
What is the InChIKey of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is ONHNSQZTFHEAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3/h5-11H2,1-4H3.
What are the key properties of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 3066982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).