2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide

C14H29N3O — CID 65460979

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCNCC1(C)C
InChIInChI=1S/C14H29N3O/c1-6-7-11(2)16-13(18)12(3)17-9-8-15-10-14(17,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyNVFKCDSHRPLBOM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.36
Rot. Bonds5

About 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide

2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 65460979) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID65460979
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCNCC1(C)C
InChIInChI=1S/C14H29N3O/c1-6-7-11(2)16-13(18)12(3)17-9-8-15-10-14(17,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyNVFKCDSHRPLBOM-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide 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 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide (CID 65460979) is 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCNCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is NVFKCDSHRPLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-7-11(2)16-13(18)12(3)17-9-8-15-10-14(17,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide?
2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 65460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).