2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide

C14H19N3O2S — CID 78833524

IUPAC2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
SMILESCSc1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C14H19N3O2S/c1-20-12-4-2-11(3-5-12)14(19)17-8-6-16(7-9-17)10-13(15)18/h2-5H,6-10H2,1H3,(H2,15,18)
InChIKeyQTWIHVKYBVQWSV-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide

2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 78833524) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
PubChem CID78833524
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
SMILESCSc1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C14H19N3O2S/c1-20-12-4-2-11(3-5-12)14(19)17-8-6-16(7-9-17)10-13(15)18/h2-5H,6-10H2,1H3,(H2,15,18)
InChIKeyQTWIHVKYBVQWSV-UHFFFAOYSA-N
XLogP0.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
CID 43521327
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 27846514
[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 17366305
2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 43227541

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide (CID 78833524) is 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide is CSc1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QTWIHVKYBVQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20-12-4-2-11(3-5-12)14(19)17-8-6-16(7-9-17)10-13(15)18/h2-5H,6-10H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide?
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 0.65, 4 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]acetamide is sourced from PubChem (CID 78833524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).