(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C19H24N2O2S — CID 2532953

IUPAC(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)sc1C
InChIInChI=1S/C19H24N2O2S/c1-4-15-13-18(24-14(15)2)19(22)21-11-9-20(10-12-21)16-7-5-6-8-17(16)23-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyAWXOFNAHNAEXKI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.59
Rot. Bonds4

About (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2532953) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2532953
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)sc1C
InChIInChI=1S/C19H24N2O2S/c1-4-15-13-18(24-14(15)2)19(22)21-11-9-20(10-12-21)16-7-5-6-8-17(16)23-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyAWXOFNAHNAEXKI-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 9872238
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
3-{1-[(5-Acetylthiophen-2-Yl)carbonyl]piperidin-4-Yl}-N-(3-Methoxyphenyl)propanamide
CID 24790658
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
5-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419053
6-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419056
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2532953) is (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AWXOFNAHNAEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-15-13-18(24-14(15)2)19(22)21-11-9-20(10-12-21)16-7-5-6-8-17(16)23-3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2532953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).