(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C22H24N2OS — CID 18121598

IUPAC(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2ccccc12
InChIInChI=1S/C22H24N2OS/c1-17-19-9-5-6-10-20(19)26-21(17)22(25)24-15-13-23(14-16-24)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVLBWFQDTHFHWTR-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.21
Rot. Bonds4

About (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 18121598) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID18121598
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2ccccc12
InChIInChI=1S/C22H24N2OS/c1-17-19-9-5-6-10-20(19)26-21(17)22(25)24-15-13-23(14-16-24)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVLBWFQDTHFHWTR-UHFFFAOYSA-N
XLogP4.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483189
(3-methyl-1-benzothiophen-2-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 166194679
(3-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78820246
ethyl 4-(3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 17436331
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 18204303
N-(2,3-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17464926
3-amino-2-methyl-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 120501514
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8968454
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121031660
(3-hydroxyazetidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 63106231
6-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053949
(3-chloro-1-benzothiophen-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297279

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 18121598) is (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2ccccc12.
What is the InChIKey of (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is VLBWFQDTHFHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-17-19-9-5-6-10-20(19)26-21(17)22(25)24-15-13-23(14-16-24)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18121598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).