(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone

C17H26N2O2 — CID 110761648

IUPAC(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1cc(C)c(C(=O)N2CCN(CC)CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-5-18-7-9-19(10-8-18)17(20)15-11-14(4)16(21-6-2)12-13(15)3/h11-12H,5-10H2,1-4H3
InChIKeyYZDNFDAJUUCQPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds4

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

(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110761648) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID110761648
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1cc(C)c(C(=O)N2CCN(CC)CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-5-18-7-9-19(10-8-18)17(20)15-11-14(4)16(21-6-2)12-13(15)3/h11-12H,5-10H2,1-4H3
InChIKeyYZDNFDAJUUCQPE-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
ethyl 4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808979
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815160
(4-ethylpiperazin-1-yl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 95970589
cyclobutyl-[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809311
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110816655
1-[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815162
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 110761648) is (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCOc1cc(C)c(C(=O)N2CCN(CC)CC2)cc1C.
What is the InChIKey of (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is YZDNFDAJUUCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-18-7-9-19(10-8-18)17(20)15-11-14(4)16(21-6-2)12-13(15)3/h11-12H,5-10H2,1-4H3.
What are the key properties of (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110761648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).