3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one

C13H15N3OS — CID 170041666

IUPAC3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
SMILESCc1ccnc2cc(CC3NCCNC3=O)sc12
InChIInChI=1S/C13H15N3OS/c1-8-2-3-14-10-6-9(18-12(8)10)7-11-13(17)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyKODNTOPYBYUWNU-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.24
Rot. Bonds2

About 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one

3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one (PubChem CID 170041666) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
PubChem CID170041666
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
SMILESCc1ccnc2cc(CC3NCCNC3=O)sc12
InChIInChI=1S/C13H15N3OS/c1-8-2-3-14-10-6-9(18-12(8)10)7-11-13(17)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyKODNTOPYBYUWNU-UHFFFAOYSA-N
XLogP1.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one (CID 170041666) is 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one is Cc1ccnc2cc(CC3NCCNC3=O)sc12.
What is the InChIKey of 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one?
The InChIKey is KODNTOPYBYUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-2-3-14-10-6-9(18-12(8)10)7-11-13(17)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one?
3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one has a molecular weight of 261.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 170041666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).