5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one

C13H17N3OS — CID 112557046

IUPAC5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCN1CCNCC1
InChIInChI=1S/C13H17N3OS/c17-13-11-2-10-18-12(11)1-5-16(13)9-8-15-6-3-14-4-7-15/h1-2,5,10,14H,3-4,6-9H2
InChIKeyMZPIHJAPHMXAEN-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.97
Rot. Bonds3

About 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one

5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 112557046) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
PubChem CID112557046
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCN1CCNCC1
InChIInChI=1S/C13H17N3OS/c17-13-11-2-10-18-12(11)1-5-16(13)9-8-15-6-3-14-4-7-15/h1-2,5,10,14H,3-4,6-9H2
InChIKeyMZPIHJAPHMXAEN-UHFFFAOYSA-N
XLogP0.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 39746239
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666
5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912101
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
CID 106731694
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889
5-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446751
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one (CID 112557046) is 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CCN1CCNCC1.
What is the InChIKey of 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is MZPIHJAPHMXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13-11-2-10-18-12(11)1-5-16(13)9-8-15-6-3-14-4-7-15/h1-2,5,10,14H,3-4,6-9H2.
What are the key properties of 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 263.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).