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

C13H25N3O — CID 18464102

IUPAC2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(CCC)CC1
InChIInChI=1S/C13H25N3O/c1-4-6-15-8-10-16(11-9-15)7-5-14-13(17)12(2)3/h2,4-11H2,1,3H3,(H,14,17)
InChIKeyAFPAZYDAFINWAF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds6

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

2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide (PubChem CID 18464102) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide
PubChem CID18464102
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(CCC)CC1
InChIInChI=1S/C13H25N3O/c1-4-6-15-8-10-16(11-9-15)7-5-14-13(17)12(2)3/h2,4-11H2,1,3H3,(H,14,17)
InChIKeyAFPAZYDAFINWAF-UHFFFAOYSA-N
XLogP0.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
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 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide (CID 18464102) is 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide is C=C(C)C(=O)NCCN1CCN(CCC)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide?
The InChIKey is AFPAZYDAFINWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-15-8-10-16(11-9-15)7-5-14-13(17)12(2)3/h2,4-11H2,1,3H3,(H,14,17).
What are the key properties of 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide?
2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 18464102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).