1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C16H23NO2S — CID 70785966

IUPAC1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C16H23NO2S/c18-12-16(9-13-2-3-13)5-1-6-17(11-16)15(19)8-14-4-7-20-10-14/h4,7,10,13,18H,1-3,5-6,8-9,11-12H2
InChIKeyQPANOOAEXAQDCR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 70785966) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID70785966
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C16H23NO2S/c18-12-16(9-13-2-3-13)5-1-6-17(11-16)15(19)8-14-4-7-20-10-14/h4,7,10,13,18H,1-3,5-6,8-9,11-12H2
InChIKeyQPANOOAEXAQDCR-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{3-(Cyclopropylmethyl)-1-[3-(2-thienyl)propanoyl]-3-piperidinyl}methanol
CID 72888762
1-[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone
CID 91918011
1-[3-(1-Acetylpiperidin-4-YL)-4-(hydroxymethyl)pyrrolidin-1-YL]-2-(thiophen-3-YL)ethan-1-one
CID 132339130
(3,3-dimethylcyclohexyl)-[(3S,4R)-3-(hydroxymethyl)-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 136582058
Methyl 6-(2-(thiophen-3-yl)acetyl)-6-azaspiro[2.5]octane-1-carboxylate
CID 121021108
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 18760287
6-Hydroxy-1-(2-thiophen-3-ylethyl)piperidin-2-one
CID 123598926
cis-(1S,2R)-N-ethyl-2-(hydroxymethyl)-N-methyliodanuidyl-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 163592325
1-(3-Hydroxymethyl-piperidin-1-yl)-2-thiophen-3-yl-ethanone
CID 43403176
1-(2-(Hydroxymethyl)piperidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 43421587
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 55064995
1-(4-(Hydroxymethyl)piperidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 60956906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 70785966) is 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCC(CO)(CC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is QPANOOAEXAQDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-12-16(9-13-2-3-13)5-1-6-17(11-16)15(19)8-14-4-7-20-10-14/h4,7,10,13,18H,1-3,5-6,8-9,11-12H2.
What are the key properties of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 293.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 70785966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).