[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone

C16H18N2OS — CID 175652360

IUPAC[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C16H18N2OS/c19-16(14-6-9-20-12-14)18-8-3-4-13(11-18)10-15-5-1-2-7-17-15/h1-2,5-7,9,12-13H,3-4,8,10-11H2
InChIKeySRVHEHMMIXCOER-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.24
Rot. Bonds3

About [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone

[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 175652360) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID175652360
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C16H18N2OS/c19-16(14-6-9-20-12-14)18-8-3-4-13(11-18)10-15-5-1-2-7-17-15/h1-2,5-7,9,12-13H,3-4,8,10-11H2
InChIKeySRVHEHMMIXCOER-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 175652360) is [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is SRVHEHMMIXCOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(14-6-9-20-12-14)18-8-3-4-13(11-18)10-15-5-1-2-7-17-15/h1-2,5-7,9,12-13H,3-4,8,10-11H2.
What are the key properties of [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 175652360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).