2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone

C13H19NOS — CID 5170821

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCC1CC(C)CN(CC(=O)c2cccs2)C1
InChIInChI=1S/C13H19NOS/c1-10-6-11(2)8-14(7-10)9-12(15)13-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyACIJFDPQPGAVFA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone

2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone (PubChem CID 5170821) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone
PubChem CID5170821
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCC1CC(C)CN(CC(=O)c2cccs2)C1
InChIInChI=1S/C13H19NOS/c1-10-6-11(2)8-14(7-10)9-12(15)13-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyACIJFDPQPGAVFA-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanone
CID 71721462
3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
2-(Tert-butylamino)-1-(thiophen-2-yl)propan-1-one
CID 44542955
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
1-Propanone, 3-[methyl(phenylmethyl)amino]-1-(2-thienyl)-
CID 11253954
1-Butanone, 4-(1-piperidinyl)-1-(2-thienyl)-, hydrochloride
CID 3072571
1-Butanone, 4-(3-methyl-1-piperidinyl)-1-(2-thienyl)-, hydrochloride
CID 3072573
2-(4-Methylpiperidin-1-yl)-1-(thiophen-2-yl)ethan-1-one
CID 5081224
2-(1-Methylpiperidin-2-yl)-1-thiophen-2-ylethanone
CID 44349982
1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
CID 14673
1-Propanone, 2-methyl-1-(4-methyl-1-piperazinyl)-1-(2-thienyl)-
CID 3061877
1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-
CID 3063268

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone (CID 5170821) is 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone is CC1CC(C)CN(CC(=O)c2cccs2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is ACIJFDPQPGAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-6-11(2)8-14(7-10)9-12(15)13-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 5170821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).