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

C12H26N4O — CID 55104284

IUPAC3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CN)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-11(10-13)12(17)14-4-3-5-16-8-6-15(2)7-9-16/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyWVNGGUMMDQMZLN-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.67
Rot. Bonds6

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

3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 55104284) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID55104284
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CN)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-11(10-13)12(17)14-4-3-5-16-8-6-15(2)7-9-16/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyWVNGGUMMDQMZLN-UHFFFAOYSA-N
XLogP-0.67
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 55104284) is 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is CC(CN)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is WVNGGUMMDQMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11(10-13)12(17)14-4-3-5-16-8-6-15(2)7-9-16/h11H,3-10,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 242.37 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55104284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).