4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C18H26N4O2S — CID 56710711

IUPAC4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCCc1cc(C(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)cs1
InChIInChI=1S/C18H26N4O2S/c1-4-6-15-11-14(12-25-15)17(23)21-9-7-13(8-10-21)16-19-20(3)18(24)22(16)5-2/h11-13H,4-10H2,1-3H3
InChIKeyPOQXXFNSTUOOCK-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.64
Rot. Bonds5

About 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56710711) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56710711
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCCc1cc(C(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)cs1
InChIInChI=1S/C18H26N4O2S/c1-4-6-15-11-14(12-25-15)17(23)21-9-7-13(8-10-21)16-19-20(3)18(24)22(16)5-2/h11-13H,4-10H2,1-3H3
InChIKeyPOQXXFNSTUOOCK-UHFFFAOYSA-N
XLogP2.64
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-methyl-5-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56757630
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
CID 56701492
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 72853307
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910
N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 56760663
4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115273
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56710711) is 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCCc1cc(C(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)cs1.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is POQXXFNSTUOOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-6-15-11-14(12-25-15)17(23)21-9-7-13(8-10-21)16-19-20(3)18(24)22(16)5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 362.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56710711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).