N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide

C9H18N4O — CID 123958058

IUPACN-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCN(N)CC1
InChIInChI=1S/C9H18N4O/c1-2-9(14)11-3-4-12-5-7-13(10)8-6-12/h2H,1,3-8,10H2,(H,11,14)
InChIKeyUZLVKSBPFJVEII-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.22
Rot. Bonds4

About N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide

N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide (PubChem CID 123958058) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
PubChem CID123958058
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCN(N)CC1
InChIInChI=1S/C9H18N4O/c1-2-9(14)11-3-4-12-5-7-13(10)8-6-12/h2H,1,3-8,10H2,(H,11,14)
InChIKeyUZLVKSBPFJVEII-UHFFFAOYSA-N
XLogP-1.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide (CID 123958058) is N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide is C=CC(=O)NCCN1CCN(N)CC1.
What is the InChIKey of N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide?
The InChIKey is UZLVKSBPFJVEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-9(14)11-3-4-12-5-7-13(10)8-6-12/h2H,1,3-8,10H2,(H,11,14).
What are the key properties of N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide?
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 123958058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).