N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide

C15H19N3O3S — CID 91768233

IUPACN-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1SC
InChIInChI=1S/C15H19N3O3S/c1-16-13(19)9-11-14(20)17-7-8-18(11)15(21)10-5-3-4-6-12(10)22-2/h3-6,11H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHCYKVHXRXDEPOT-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.49
Rot. Bonds4

About N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide

N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 91768233) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID91768233
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1SC
InChIInChI=1S/C15H19N3O3S/c1-16-13(19)9-11-14(20)17-7-8-18(11)15(21)10-5-3-4-6-12(10)22-2/h3-6,11H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHCYKVHXRXDEPOT-UHFFFAOYSA-N
XLogP0.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95394317
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 119074318
2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 70714121
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[1-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 121496108
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide (CID 91768233) is N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide is CNC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1SC.
What is the InChIKey of N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is HCYKVHXRXDEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-16-13(19)9-11-14(20)17-7-8-18(11)15(21)10-5-3-4-6-12(10)22-2/h3-6,11H,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide?
N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 91768233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).