(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C19H24N2O3S — CID 78801509

IUPAC(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C19H24N2O3S/c1-3-24-17-7-6-15(13-18(17)23-2)19(22)21-10-8-20(9-11-21)14-16-5-4-12-25-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyLVTQLGWEDVNVAK-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.11
Rot. Bonds6

About (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 78801509) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID78801509
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C19H24N2O3S/c1-3-24-17-7-6-15(13-18(17)23-2)19(22)21-10-8-20(9-11-21)14-16-5-4-12-25-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyLVTQLGWEDVNVAK-UHFFFAOYSA-N
XLogP3.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31327621
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 31362194
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 78801509) is (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LVTQLGWEDVNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-24-17-7-6-15(13-18(17)23-2)19(22)21-10-8-20(9-11-21)14-16-5-4-12-25-16/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78801509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).