5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one

C13H16N2OS — CID 112557045

IUPAC5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1CCCCN1
InChIInChI=1S/C13H16N2OS/c16-13-11-5-8-17-12(11)4-7-15(13)9-10-3-1-2-6-14-10/h4-5,7-8,10,14H,1-3,6,9H2
InChIKeyNKUSBBNJTJFUHG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.21
Rot. Bonds2

About 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one

5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 112557045) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
PubChem CID112557045
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1CCCCN1
InChIInChI=1S/C13H16N2OS/c16-13-11-5-8-17-12(11)4-7-15(13)9-10-3-1-2-6-14-10/h4-5,7-8,10,14H,1-3,6,9H2
InChIKeyNKUSBBNJTJFUHG-UHFFFAOYSA-N
XLogP2.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557042
5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
CID 103985823
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
5-(2,3-dihydro-1-benzothiophen-3-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 116626910
3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102819743
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889
5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
CID 103072901
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one (CID 112557045) is 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CC1CCCCN1.
What is the InChIKey of 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is NKUSBBNJTJFUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13-11-5-8-17-12(11)4-7-15(13)9-10-3-1-2-6-14-10/h4-5,7-8,10,14H,1-3,6,9H2.
What are the key properties of 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 248.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).