2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C12H24BrN3O — CID 114328411

IUPAC2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C12H24BrN3O/c1-12(2,13)11(17)14-5-4-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,14,17)
InChIKeyUSZBVRMDPDDVFW-UHFFFAOYSA-N
MW306.25 g/mol
LogP0.91
Rot. Bonds5

About 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 114328411) has the molecular formula C12H24BrN3O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID114328411
Molecular FormulaC12H24BrN3O
Molecular Weight306.25 g/mol
Exact Mass305.11
IUPAC Name2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C12H24BrN3O/c1-12(2,13)11(17)14-5-4-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,14,17)
InChIKeyUSZBVRMDPDDVFW-UHFFFAOYSA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide 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

2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 114328411) is 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is CN1CCN(CCCNC(=O)C(C)(C)Br)CC1.
What is the InChIKey of 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is USZBVRMDPDDVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN3O/c1-12(2,13)11(17)14-5-4-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,14,17).
What are the key properties of 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 306.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 114328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).