5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one

C20H20N2O2S — CID 53134849

IUPAC5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(c1cc2c(=O)n(Cc3ccccc3)ccc2s1)N1CCCCC1
InChIInChI=1S/C20H20N2O2S/c23-19-16-13-18(20(24)21-10-5-2-6-11-21)25-17(16)9-12-22(19)14-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2
InChIKeyKFPYJWCVGRGFQA-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.74
Rot. Bonds3

About 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one

5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one (PubChem CID 53134849) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
PubChem CID53134849
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(c1cc2c(=O)n(Cc3ccccc3)ccc2s1)N1CCCCC1
InChIInChI=1S/C20H20N2O2S/c23-19-16-13-18(20(24)21-10-5-2-6-11-21)25-17(16)9-12-22(19)14-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2
InChIKeyKFPYJWCVGRGFQA-UHFFFAOYSA-N
XLogP3.74
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 53134833
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
(4-benzylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 2352884
3-(azepane-1-carbonyl)-5-[(4-fluorophenyl)methyl]-2-methylthieno[3,2-c]pyridin-4-one
CID 87051563
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
CID 15991979
(5-amino-1-benzothiophen-2-yl)-(azocan-1-yl)methanone
CID 61094330
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2-benzothiazol-3-one
CID 172877101
5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 134316049
6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one
CID 20946748

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one (CID 53134849) is 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one is O=C(c1cc2c(=O)n(Cc3ccccc3)ccc2s1)N1CCCCC1.
What is the InChIKey of 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is KFPYJWCVGRGFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19-16-13-18(20(24)21-10-5-2-6-11-21)25-17(16)9-12-22(19)14-15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11,14H2.
What are the key properties of 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 53134849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).