N-[2-(4-methylpiperazin-1-yl)ethyl]formamide

C8H17N3O — CID 18695595

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]formamide
SMILESCN1CCN(CCNC=O)CC1
InChIInChI=1S/C8H17N3O/c1-10-4-6-11(7-5-10)3-2-9-8-12/h8H,2-7H2,1H3,(H,9,12)
InChIKeyACXARFSFYTUFFS-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.02
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]formamide

N-[2-(4-methylpiperazin-1-yl)ethyl]formamide (PubChem CID 18695595) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]formamide
PubChem CID18695595
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]formamide
SMILESCN1CCN(CCNC=O)CC1
InChIInChI=1S/C8H17N3O/c1-10-4-6-11(7-5-10)3-2-9-8-12/h8H,2-7H2,1H3,(H,9,12)
InChIKeyACXARFSFYTUFFS-UHFFFAOYSA-N
XLogP-1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]formamide 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-[2-(4-methylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]formamide (CID 18695595) is N-[2-(4-methylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]formamide is CN1CCN(CCNC=O)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]formamide?
The InChIKey is ACXARFSFYTUFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-4-6-11(7-5-10)3-2-9-8-12/h8H,2-7H2,1H3,(H,9,12).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]formamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]formamide has a molecular weight of 171.24 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 18695595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).