(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone

C15H19NO2S — CID 61422006

IUPAC(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
SMILESCCC1CCN(C(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C15H19NO2S/c1-2-12-7-9-16(10-8-12)15(18)14-6-5-13(19-14)4-3-11-17/h5-6,12,17H,2,7-11H2,1H3
InChIKeyFEEZKZQUYHNKQC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.35
Rot. Bonds2

About (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone

(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone (PubChem CID 61422006) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
PubChem CID61422006
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
SMILESCCC1CCN(C(=O)c2ccc(C#CCO)s2)CC1
InChIInChI=1S/C15H19NO2S/c1-2-12-7-9-16(10-8-12)15(18)14-6-5-13(19-14)4-3-11-17/h5-6,12,17H,2,7-11H2,1H3
InChIKeyFEEZKZQUYHNKQC-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.35
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

[3-(diethylamino)pyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 63175231
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-(4-propylpiperidin-1-yl)methanone
CID 62206161
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837182
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61077088
(2,6-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 61074722
(4-ethoxypiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 61216696
(3-ethylpiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 61076343
1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]-1,4-diazepan-5-one
CID 63002741
1-[4-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone
CID 61075447
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 79696297
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537075

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone (CID 61422006) is (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone is CCC1CCN(C(=O)c2ccc(C#CCO)s2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
The InChIKey is FEEZKZQUYHNKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-12-7-9-16(10-8-12)15(18)14-6-5-13(19-14)4-3-11-17/h5-6,12,17H,2,7-11H2,1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone?
(4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone has a molecular weight of 277.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone is sourced from PubChem (CID 61422006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).