[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C19H24N2OS — CID 113076408

IUPAC[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2OS/c1-14(2)16-7-4-6-15(3)18(16)20-9-11-21(12-10-20)19(22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyHRPAHPVBPVVIEF-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.14
Rot. Bonds3

About [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113076408) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID113076408
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2OS/c1-14(2)16-7-4-6-15(3)18(16)20-9-11-21(12-10-20)19(22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyHRPAHPVBPVVIEF-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076410
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113076455
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
2-(2-propan-2-ylphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108546585

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 113076408) is [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is Cc1cccc(C(C)C)c1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HRPAHPVBPVVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(2)16-7-4-6-15(3)18(16)20-9-11-21(12-10-20)19(22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 328.48 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113076408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).