piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone

C15H16N2OS — CID 53014233

IUPACpiperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)nc1)N1CCCCC1
InChIInChI=1S/C15H16N2OS/c18-15(17-7-2-1-3-8-17)12-4-5-14(16-10-12)13-6-9-19-11-13/h4-6,9-11H,1-3,7-8H2
InChIKeyAWXXVQZIGLMVSD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.44
Rot. Bonds2

About piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone

piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone (PubChem CID 53014233) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
PubChem CID53014233
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Namepiperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)nc1)N1CCCCC1
InChIInChI=1S/C15H16N2OS/c18-15(17-7-2-1-3-8-17)12-4-5-14(16-10-12)13-6-9-19-11-13/h4-6,9-11H,1-3,7-8H2
InChIKeyAWXXVQZIGLMVSD-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
CID 166313865
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone?
The IUPAC name of piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone (CID 53014233) is piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone?
The canonical SMILES for piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2ccsc2)nc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone?
The InChIKey is AWXXVQZIGLMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-7-2-1-3-8-17)12-4-5-14(16-10-12)13-6-9-19-11-13/h4-6,9-11H,1-3,7-8H2.
What are the key properties of piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone?
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53014233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).