[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone

C17H20N2OS — CID 125024367

IUPAC[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(C[C@H]2CCCN(C(=O)c3ccsc3)C2)cn1
InChIInChI=1S/C17H20N2OS/c1-13-4-5-14(10-18-13)9-15-3-2-7-19(11-15)17(20)16-6-8-21-12-16/h4-6,8,10,12,15H,2-3,7,9,11H2,1H3/t15-/m1/s1
InChIKeyZEZORLOUQDSVIX-OAHLLOKOSA-N
MW300.43 g/mol
LogP3.55
Rot. Bonds3

About [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone

[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 125024367) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID125024367
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(C[C@H]2CCCN(C(=O)c3ccsc3)C2)cn1
InChIInChI=1S/C17H20N2OS/c1-13-4-5-14(10-18-13)9-15-3-2-7-19(11-15)17(20)16-6-8-21-12-16/h4-6,8,10,12,15H,2-3,7,9,11H2,1H3/t15-/m1/s1
InChIKeyZEZORLOUQDSVIX-OAHLLOKOSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422
isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103462
1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 125024367) is [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone is Cc1ccc(C[C@H]2CCCN(C(=O)c3ccsc3)C2)cn1.
What is the InChIKey of [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZEZORLOUQDSVIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-4-5-14(10-18-13)9-15-3-2-7-19(11-15)17(20)16-6-8-21-12-16/h4-6,8,10,12,15H,2-3,7,9,11H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 125024367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).