N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide

C9H18N3O+ — CID 7213284

IUPACN-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CC2)CC1
InChIInChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13)/p+1
InChIKeyYYXBESLZCIHIRB-UHFFFAOYSA-O
MW184.26 g/mol
LogP-1.74
Rot. Bonds2

About N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide

N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide (PubChem CID 7213284) has the molecular formula C9H18N3O+ and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide
PubChem CID7213284
Molecular FormulaC9H18N3O+
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CC2)CC1
InChIInChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13)/p+1
InChIKeyYYXBESLZCIHIRB-UHFFFAOYSA-O
XLogP-1.74
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide 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-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide (CID 7213284) is N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide is C[NH+]1CCN(NC(=O)C2CC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide?
The InChIKey is YYXBESLZCIHIRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide?
N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide has a molecular weight of 184.26 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).