(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C17H20N2OS — CID 110709190

IUPAC(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H20N2OS/c1-14-5-2-3-7-16(14)17(20)19-10-8-18(9-11-19)13-15-6-4-12-21-15/h2-7,12H,8-11,13H2,1H3
InChIKeySQBYENLFNWKTOB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.01
Rot. Bonds3

About (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 110709190) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID110709190
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H20N2OS/c1-14-5-2-3-7-16(14)17(20)19-10-8-18(9-11-19)13-15-6-4-12-21-15/h2-7,12H,8-11,13H2,1H3
InChIKeySQBYENLFNWKTOB-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17477211
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 110709190) is (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SQBYENLFNWKTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-14-5-2-3-7-16(14)17(20)19-10-8-18(9-11-19)13-15-6-4-12-21-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 300.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110709190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).