[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H22N2OS — CID 110658125

IUPAC[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CCN1CCc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-15-14-20(18(21)17-8-5-13-22-17)12-11-19(15)10-9-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyGKIUILVEBKOMHR-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.14
Rot. Bonds4

About [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110658125) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID110658125
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CCN1CCc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-15-14-20(18(21)17-8-5-13-22-17)12-11-19(15)10-9-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyGKIUILVEBKOMHR-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110658208
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110658186
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
4-[[(2S,6R)-2,6-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoic acid
CID 135259823
2-(4-methoxyphenyl)-1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 110658153
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 110658125) is [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)CCN1CCc1ccccc1.
What is the InChIKey of [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GKIUILVEBKOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-15-14-20(18(21)17-8-5-13-22-17)12-11-19(15)10-9-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 314.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110658125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).