5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C16H23N3O3S — CID 84583610

IUPAC5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)CSCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12(2)10-23-11-15(21)18-5-7-19(8-6-18)16(22)13-3-4-14(20)17-9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyKWISRQURZCWWBL-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.05
Rot. Bonds5

About 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 84583610) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID84583610
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)CSCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O3S/c1-12(2)10-23-11-15(21)18-5-7-19(8-6-18)16(22)13-3-4-14(20)17-9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyKWISRQURZCWWBL-UHFFFAOYSA-N
XLogP1.05
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522138
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 110610852
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 134710076

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 84583610) is 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one is CC(C)CSCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KWISRQURZCWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(2)10-23-11-15(21)18-5-7-19(8-6-18)16(22)13-3-4-14(20)17-9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 337.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 84583610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).