1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one

C14H26N2O2 — CID 21419103

IUPAC1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one
SMILESC=C(OCC)C(=O)N1CC(C)N(CCC)CC1C
InChIInChI=1S/C14H26N2O2/c1-6-8-15-9-12(4)16(10-11(15)3)14(17)13(5)18-7-2/h11-12H,5-10H2,1-4H3
InChIKeyBYSRUXLBZQACJN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.87
Rot. Bonds5

About 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one

1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one (PubChem CID 21419103) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one
PubChem CID21419103
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one
SMILESC=C(OCC)C(=O)N1CC(C)N(CCC)CC1C
InChIInChI=1S/C14H26N2O2/c1-6-8-15-9-12(4)16(10-11(15)3)14(17)13(5)18-7-2/h11-12H,5-10H2,1-4H3
InChIKeyBYSRUXLBZQACJN-UHFFFAOYSA-N
XLogP1.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-1,4-dioxin-2-yl(4-ethyl-1-piperazinyl)methanone
CID 2359179
2-ethoxy-N-methyl-N-propylacrylamide
CID 85969611
2-ethoxy-N-isopropyl-N-methylacrylamide
CID 85969616
N-[2-(Morpholin-4-yl)ethyl]-N-(propan-2-yl)prop-2-enamide
CID 298955
2,3-Dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 16239128
(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
CID 89194290
ethane;(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954450
(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954451
1-(4-Tert-butylpiperazin-1-yl)-2-ethenoxyprop-2-en-1-one
CID 142196646
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432565
2-Ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432566
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one?
The IUPAC name of 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one (CID 21419103) is 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one?
The canonical SMILES for 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one is C=C(OCC)C(=O)N1CC(C)N(CCC)CC1C.
What is the InChIKey of 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one?
The InChIKey is BYSRUXLBZQACJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-15-9-12(4)16(10-11(15)3)14(17)13(5)18-7-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one?
1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one is sourced from PubChem (CID 21419103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).