2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide

C15H24N4OS — CID 82898824

IUPAC2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
SMILESCC(C)(C(N)=S)N1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H24N4OS/c1-15(2,14(16)21)19-11-8-17(9-12-19)7-10-18-6-4-3-5-13(18)20/h3-6H,7-12H2,1-2H3,(H2,16,21)
InChIKeyQOWVEDDWEIAXBF-UHFFFAOYSA-N
MW308.45 g/mol
LogP0.53
Rot. Bonds5

About 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide

2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide (PubChem CID 82898824) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
PubChem CID82898824
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
SMILESCC(C)(C(N)=S)N1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H24N4OS/c1-15(2,14(16)21)19-11-8-17(9-12-19)7-10-18-6-4-3-5-13(18)20/h3-6H,7-12H2,1-2H3,(H2,16,21)
InChIKeyQOWVEDDWEIAXBF-UHFFFAOYSA-N
XLogP0.53
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490
2,2-dimethyl-4-(2-oxo-1-pyridinyl)butanethioamide
CID 65249108
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanethioamide
CID 82898823
2-methyl-2-[4-(3-phenylpropyl)piperazin-1-yl]propanethioamide
CID 63342485
4-methylsulfanyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-4-carbothioamide
CID 82896875
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
2-[2-(2-oxo-1-pyridinyl)ethylamino]oxyacetamide
CID 112673701
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide?
The IUPAC name of 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide (CID 82898824) is 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide.
What is the SMILES notation for 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide?
The canonical SMILES for 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide is CC(C)(C(N)=S)N1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide?
The InChIKey is QOWVEDDWEIAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(2,14(16)21)19-11-8-17(9-12-19)7-10-18-6-4-3-5-13(18)20/h3-6H,7-12H2,1-2H3,(H2,16,21).
What are the key properties of 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide?
2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide has a molecular weight of 308.45 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide is sourced from PubChem (CID 82898824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).