(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone

C20H22N2OS2 — CID 1285074

IUPAC(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone
SMILESCCc1cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)sc2s1
InChIInChI=1S/C20H22N2OS2/c1-2-17-12-16-13-18(25-20(16)24-17)19(23)22-10-8-21(9-11-22)14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyUOAYHSHJJFSNHM-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.48
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone

(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone (PubChem CID 1285074) has the molecular formula C20H22N2OS2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone
PubChem CID1285074
Molecular FormulaC20H22N2OS2
Molecular Weight370.54 g/mol
Exact Mass370.12
IUPAC Name(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone
SMILESCCc1cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)sc2s1
InChIInChI=1S/C20H22N2OS2/c1-2-17-12-16-13-18(25-20(16)24-17)19(23)22-10-8-21(9-11-22)14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyUOAYHSHJJFSNHM-UHFFFAOYSA-N
XLogP4.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
(4-benzylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 2352884
2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
CID 15991979
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 48573234
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91950477
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone (CID 1285074) is (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone is CCc1cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)sc2s1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone?
The InChIKey is UOAYHSHJJFSNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS2/c1-2-17-12-16-13-18(25-20(16)24-17)19(23)22-10-8-21(9-11-22)14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone has a molecular weight of 370.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone is sourced from PubChem (CID 1285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).