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

C17H20N2OS — CID 124950556

IUPAC(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1
InChIInChI=1S/C17H20N2OS/c1-13-8-16(21-12-13)17(20)19-7-3-5-15(11-19)9-14-4-2-6-18-10-14/h2,4,6,8,10,12,15H,3,5,7,9,11H2,1H3/t15-/m0/s1
InChIKeyDCNPSXMTUKBQDY-HNNXBMFYSA-N
MW300.43 g/mol
LogP3.55
Rot. Bonds3

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

(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124950556) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID124950556
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1
InChIInChI=1S/C17H20N2OS/c1-13-8-16(21-12-13)17(20)19-7-3-5-15(11-19)9-14-4-2-6-18-10-14/h2,4,6,8,10,12,15H,3,5,7,9,11H2,1H3/t15-/m0/s1
InChIKeyDCNPSXMTUKBQDY-HNNXBMFYSA-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

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

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Related Compounds

pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 52992866
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 124950556) is (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is Cc1csc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is DCNPSXMTUKBQDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-8-16(21-12-13)17(20)19-7-3-5-15(11-19)9-14-4-2-6-18-10-14/h2,4,6,8,10,12,15H,3,5,7,9,11H2,1H3/t15-/m0/s1.
What are the key properties of (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone 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 (4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124950556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).