1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone

C18H22N2OS — CID 110103422

IUPAC1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(CC2CCCN(C(=O)Cc3cccs3)C2)cn1
InChIInChI=1S/C18H22N2OS/c1-14-6-7-15(12-19-14)10-16-4-2-8-20(13-16)18(21)11-17-5-3-9-22-17/h3,5-7,9,12,16H,2,4,8,10-11,13H2,1H3
InChIKeyWSSVCRONQMCSRD-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110103422) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110103422
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(CC2CCCN(C(=O)Cc3cccs3)C2)cn1
InChIInChI=1S/C18H22N2OS/c1-14-6-7-15(12-19-14)10-16-4-2-8-20(13-16)18(21)11-17-5-3-9-22-17/h3,5-7,9,12,16H,2,4,8,10-11,13H2,1H3
InChIKeyWSSVCRONQMCSRD-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103439
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124981044
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
1-[(3R)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 124955333

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110103422) is 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1ccc(CC2CCCN(C(=O)Cc3cccs3)C2)cn1.
What is the InChIKey of 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is WSSVCRONQMCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-7-15(12-19-14)10-16-4-2-8-20(13-16)18(21)11-17-5-3-9-22-17/h3,5-7,9,12,16H,2,4,8,10-11,13H2,1H3.
What are the key properties of 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 314.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110103422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).