3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one

C18H21N3OS — CID 10336576

IUPAC3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one
SMILESCc1nc2sc3ccccc3c2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C18H21N3OS/c1-13-18(22)21(12-11-20-9-5-2-6-10-20)16-14-7-3-4-8-15(14)23-17(16)19-13/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyPHLUKKQYXSAREB-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.41
Rot. Bonds3

About 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one

3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one (PubChem CID 10336576) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one
PubChem CID10336576
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one
SMILESCc1nc2sc3ccccc3c2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C18H21N3OS/c1-13-18(22)21(12-11-20-9-5-2-6-10-20)16-14-7-3-4-8-15(14)23-17(16)19-13/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyPHLUKKQYXSAREB-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-propyl-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10812948
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propyl-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10718167
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
CID 144721935
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
N-[3-(azepan-1-yl)propyl]-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide
CID 22514077
2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
CID 2866034
1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole
CID 10038903
1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol
CID 10409082
3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
CID 59468100
3-[5-(azepan-1-yl)pentyl]-1,3-benzothiazol-2-one
CID 71817538
3-[3-(azepan-1-yl)propyl]-1,3-benzothiazol-2-one;hydrochloride
CID 71818285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one?
The IUPAC name of 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one (CID 10336576) is 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one is Cc1nc2sc3ccccc3c2n(CCN2CCCCC2)c1=O.
What is the InChIKey of 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one?
The InChIKey is PHLUKKQYXSAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-18(22)21(12-11-20-9-5-2-6-10-20)16-14-7-3-4-8-15(14)23-17(16)19-13/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one?
3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one has a molecular weight of 327.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one is sourced from PubChem (CID 10336576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).