1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one

C17H25NOS — CID 79058490

IUPAC1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H25NOS/c19-16(9-8-15-7-6-14-20-15)17(10-2-3-11-17)18-12-4-1-5-13-18/h6-7,14H,1-5,8-13H2
InChIKeyYTRQNWSCPXAVLV-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.05
Rot. Bonds5

About 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one

1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 79058490) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
PubChem CID79058490
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H25NOS/c19-16(9-8-15-7-6-14-20-15)17(10-2-3-11-17)18-12-4-1-5-13-18/h6-7,14H,1-5,8-13H2
InChIKeyYTRQNWSCPXAVLV-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79059762
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79057434
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-thiophen-2-ylpropan-1-one
CID 9117209
1-(1-piperidin-1-ylcyclopentyl)nonan-1-one
CID 79059235
2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057927

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one (CID 79058490) is 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is YTRQNWSCPXAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c19-16(9-8-15-7-6-14-20-15)17(10-2-3-11-17)18-12-4-1-5-13-18/h6-7,14H,1-5,8-13H2.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one?
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 291.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 79058490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).