N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide

C12H23N3O — CID 18464093

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(CC)CC1
InChIInChI=1S/C12H23N3O/c1-4-14-7-9-15(10-8-14)6-5-13-12(16)11(2)3/h2,4-10H2,1,3H3,(H,13,16)
InChIKeyBQEFJUAWUROMSE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 18464093) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
PubChem CID18464093
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(CC)CC1
InChIInChI=1S/C12H23N3O/c1-4-14-7-9-15(10-8-14)6-5-13-12(16)11(2)3/h2,4-10H2,1,3H3,(H,13,16)
InChIKeyBQEFJUAWUROMSE-UHFFFAOYSA-N
XLogP0.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (CID 18464093) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN1CCN(CC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is BQEFJUAWUROMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-14-7-9-15(10-8-14)6-5-13-12(16)11(2)3/h2,4-10H2,1,3H3,(H,13,16).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18464093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).