(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone

C19H30N2O4 — CID 4065244

IUPAC(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(CC)CC2)cc(OCC)c1OCC
InChIInChI=1S/C19H30N2O4/c1-5-20-9-11-21(12-10-20)19(22)15-13-16(23-6-2)18(25-8-4)17(14-15)24-7-3/h13-14H,5-12H2,1-4H3
InChIKeyRZWUVJJGNGHFGQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.66
Rot. Bonds8

About (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone

(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone (PubChem CID 4065244) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
PubChem CID4065244
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(CC)CC2)cc(OCC)c1OCC
InChIInChI=1S/C19H30N2O4/c1-5-20-9-11-21(12-10-20)19(22)15-13-16(23-6-2)18(25-8-4)17(14-15)24-7-3/h13-14H,5-12H2,1-4H3
InChIKeyRZWUVJJGNGHFGQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pentane-1,4-dione
CID 108534384
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110761648
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180814
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108545155
[2-bromo-4-(2-methoxyethoxy)-1-benzofuran-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 91958185

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone (CID 4065244) is (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN(CC)CC2)cc(OCC)c1OCC.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is RZWUVJJGNGHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-20-9-11-21(12-10-20)19(22)15-13-16(23-6-2)18(25-8-4)17(14-15)24-7-3/h13-14H,5-12H2,1-4H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 4065244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).