[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C14H18N4OS — CID 53192127

IUPAC[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1nc(C2CCCN(C(=O)c3cccs3)C2)n[nH]1
InChIInChI=1S/C14H18N4OS/c1-2-12-15-13(17-16-12)10-5-3-7-18(9-10)14(19)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,15,16,17)
InChIKeyMQMVSDOHELNPFA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.45
Rot. Bonds3

About [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 53192127) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID53192127
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1nc(C2CCCN(C(=O)c3cccs3)C2)n[nH]1
InChIInChI=1S/C14H18N4OS/c1-2-12-15-13(17-16-12)10-5-3-7-18(9-10)14(19)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,15,16,17)
InChIKeyMQMVSDOHELNPFA-UHFFFAOYSA-N
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4035331
1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 16295824
3-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]-1-(thiophene-3-carbonyl)piperidine
CID 53192234
{4-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidino}(2-thienyl)methanone
CID 53192465
4-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]-1-(thiophene-3-carbonyl)piperidine
CID 53192467
(5-Ethylthiophen-2-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53552938
(4,5-Dimethylthiophen-2-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53554676
5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 71872771
5-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 71872775
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
(2,5-dimethylthiophen-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123532
5-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 72142722

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 53192127) is [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is CCc1nc(C2CCCN(C(=O)c3cccs3)C2)n[nH]1.
What is the InChIKey of [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MQMVSDOHELNPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-12-15-13(17-16-12)10-5-3-7-18(9-10)14(19)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,15,16,17).
What are the key properties of [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 290.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 53192127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).