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

C11H19N3O2 — CID 19985619

IUPACN-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-9(2)11(16)12-10(3)14-6-4-13(8-15)5-7-14/h8,10H,1,4-7H2,2-3H3,(H,12,16)
InChIKeyBVHVWSSZEXVMBV-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.20
Rot. Bonds4

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

N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 19985619) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
PubChem CID19985619
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-9(2)11(16)12-10(3)14-6-4-13(8-15)5-7-14/h8,10H,1,4-7H2,2-3H3,(H,12,16)
InChIKeyBVHVWSSZEXVMBV-UHFFFAOYSA-N
XLogP-0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (CID 19985619) is N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)N1CCN(C=O)CC1.
What is the InChIKey of N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is BVHVWSSZEXVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)11(16)12-10(3)14-6-4-13(8-15)5-7-14/h8,10H,1,4-7H2,2-3H3,(H,12,16).
What are the key properties of N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 19985619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).