[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C16H22N4O2S — CID 53192152

IUPAC[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3sccc3C)C2)n[nH]1
InChIInChI=1S/C16H22N4O2S/c1-11-6-9-23-14(11)16(21)20-7-3-4-12(10-20)15-17-13(18-19-15)5-8-22-2/h6,9,12H,3-5,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyHACCSIBGRFBCPX-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.38
Rot. Bonds5

About [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 53192152) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID53192152
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3sccc3C)C2)n[nH]1
InChIInChI=1S/C16H22N4O2S/c1-11-6-9-23-14(11)16(21)20-7-3-4-12(10-20)15-17-13(18-19-15)5-8-22-2/h6,9,12H,3-5,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyHACCSIBGRFBCPX-UHFFFAOYSA-N
XLogP2.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 71928794
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928822
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
CID 72122663
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123392
[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 72123479
(2,5-dimethylthiophen-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123532

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 53192152) is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is COCCc1nc(C2CCCN(C(=O)c3sccc3C)C2)n[nH]1.
What is the InChIKey of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is HACCSIBGRFBCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-6-9-23-14(11)16(21)20-7-3-4-12(10-20)15-17-13(18-19-15)5-8-22-2/h6,9,12H,3-5,7-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 334.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53192152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).