1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone

C13H19NOS — CID 1093249

IUPAC1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cccs1
InChIInChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m1/s1
InChIKeyNZVAAYAUGDPYKU-GHMZBOCLSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds2

About 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 1093249) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID1093249
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cccs1
InChIInChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m1/s1
InChIKeyNZVAAYAUGDPYKU-GHMZBOCLSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
CID 107069583
1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981058
2-[8-(2-thiophen-2-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615067
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 115269326
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone (CID 1093249) is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone is C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cccs1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NZVAAYAUGDPYKU-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone?
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 1093249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).