[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone

C16H21NO2S — CID 79696297

IUPAC[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2csc(C#CCO)c2)CC1
InChIInChI=1S/C16H21NO2S/c1-2-4-13-6-8-17(9-7-13)16(19)14-11-15(20-12-14)5-3-10-18/h11-13,18H,2,4,6-10H2,1H3
InChIKeyRUYBRBRWVOJTJQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.74
Rot. Bonds3

About [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone

[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 79696297) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
PubChem CID79696297
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2csc(C#CCO)c2)CC1
InChIInChI=1S/C16H21NO2S/c1-2-4-13-6-8-17(9-7-13)16(19)14-11-15(20-12-14)5-3-10-18/h11-13,18H,2,4,6-10H2,1H3
InChIKeyRUYBRBRWVOJTJQ-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylazepan-1-yl)methanone
CID 79690949
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(4-ethylpiperidin-1-yl)methanone
CID 79683936
1-[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]piperidine-4-carboxamide
CID 79692820
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
CID 79690216
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methanone
CID 114680666
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
(3,4-dimethylpyrrolidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methanone
CID 79696793
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79683796
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 79696380
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methanone
CID 79915673
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745170

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone (CID 79696297) is [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2csc(C#CCO)c2)CC1.
What is the InChIKey of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is RUYBRBRWVOJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-4-13-6-8-17(9-7-13)16(19)14-11-15(20-12-14)5-3-10-18/h11-13,18H,2,4,6-10H2,1H3.
What are the key properties of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone?
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 291.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 79696297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).