pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

C16H18N2OS — CID 84512200

IUPACpyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(14-3-1-7-17-12-14)18-8-5-13(6-9-18)11-15-4-2-10-20-15/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyNGGXGXRHVKAIIR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.24
Rot. Bonds3

About pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 84512200) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID84512200
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Namepyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(14-3-1-7-17-12-14)18-8-5-13(6-9-18)11-15-4-2-10-20-15/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyNGGXGXRHVKAIIR-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

Analyze pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798609
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (CID 84512200) is pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NGGXGXRHVKAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(14-3-1-7-17-12-14)18-8-5-13(6-9-18)11-15-4-2-10-20-15/h1-4,7,10,12-13H,5-6,8-9,11H2.
What are the key properties of pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone 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 pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 84512200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).