N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide

C10H19N3O2 — CID 170106648

IUPACN-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NN1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)9(15)11-13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyNGTIAOFPMBQXDD-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.16
Rot. Bonds2

About N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide

N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide (PubChem CID 170106648) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide
PubChem CID170106648
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NN1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)9(15)11-13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyNGTIAOFPMBQXDD-UHFFFAOYSA-N
XLogP-0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide 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 N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide (CID 170106648) is N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NN1CCN(C=O)CC1.
What is the InChIKey of N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide?
The InChIKey is NGTIAOFPMBQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)9(15)11-13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15).
What are the key properties of N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide?
N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide has a molecular weight of 213.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylpiperazin-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 170106648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).