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

C16H18N2OS — CID 18111082

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H18N2OS/c1-13-4-2-3-5-15(13)17-7-9-18(10-8-17)16(19)14-6-11-20-12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQLPVWPUHFFEUAC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.02
Rot. Bonds2

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

[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 18111082) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID18111082
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H18N2OS/c1-13-4-2-3-5-15(13)17-7-9-18(10-8-17)16(19)14-6-11-20-12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQLPVWPUHFFEUAC-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
1-[2-fluoro-6-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]phenyl]ethanone
CID 60521453
thiophen-3-yl-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]methanone
CID 60521376
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 18111082) is [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone is Cc1ccccc1N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is QLPVWPUHFFEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13-4-2-3-5-15(13)17-7-9-18(10-8-17)16(19)14-6-11-20-12-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 18111082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).