2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide

C17H25N3O2S — CID 18156848

IUPAC2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCSc1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-13(2)18-16(21)12-19-8-10-20(11-9-19)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,18,21)
InChIKeyGJFWPWUNGMKDMY-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.69
Rot. Bonds5

About 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18156848) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18156848
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCSc1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-13(2)18-16(21)12-19-8-10-20(11-9-19)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,18,21)
InChIKeyGJFWPWUNGMKDMY-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18268795
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519631
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
2-[4-[4-(benzenesulfonylmethyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55756331
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 18156848) is 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide is CSc1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GJFWPWUNGMKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13(2)18-16(21)12-19-8-10-20(11-9-19)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 335.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18156848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).