N-hexyl-2-methyl-2-piperazin-1-ylpropanamide

C14H29N3O — CID 80548728

IUPACN-hexyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-8-16-13(18)14(2,3)17-11-9-15-10-12-17/h15H,4-12H2,1-3H3,(H,16,18)
InChIKeyUEJFEOQRXCHMIS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds7

About N-hexyl-2-methyl-2-piperazin-1-ylpropanamide

N-hexyl-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548728) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-hexyl-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-hexyl-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548728
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-hexyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-8-16-13(18)14(2,3)17-11-9-15-10-12-17/h15H,4-12H2,1-3H3,(H,16,18)
InChIKeyUEJFEOQRXCHMIS-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hexyl-2-methyl-2-piperazin-1-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
aziridine;octadecylcarbamic acid
CID 88639919
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-hexyl-2-methyl-2-piperazin-1-ylpropanamide (CID 80548728) is N-hexyl-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-hexyl-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-hexyl-2-methyl-2-piperazin-1-ylpropanamide is CCCCCCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-hexyl-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is UEJFEOQRXCHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-6-7-8-16-13(18)14(2,3)17-11-9-15-10-12-17/h15H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-hexyl-2-methyl-2-piperazin-1-ylpropanamide?
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).