(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone

C16H24N2O4 — CID 25236189

IUPAC(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1
InChIInChI=1S/C16H24N2O4/c1-5-17-6-8-18(9-7-17)16(19)12-10-14(21-3)15(22-4)11-13(12)20-2/h10-11H,5-9H2,1-4H3
InChIKeyZHSAVPISBPUNAS-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.49
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone

(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 25236189) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
PubChem CID25236189
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1
InChIInChI=1S/C16H24N2O4/c1-5-17-6-8-18(9-7-17)16(19)12-10-14(21-3)15(22-4)11-13(12)20-2/h10-11H,5-9H2,1-4H3
InChIKeyZHSAVPISBPUNAS-UHFFFAOYSA-N
XLogP1.49
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
(4-ethylpiperazin-1-yl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 95970589
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148664
N-benzyl-N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]methanesulfonamide
CID 30151155
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone (CID 25236189) is (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone is CCN1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZHSAVPISBPUNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-17-6-8-18(9-7-17)16(19)12-10-14(21-3)15(22-4)11-13(12)20-2/h10-11H,5-9H2,1-4H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 308.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25236189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).