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

C16H20N4O2S — CID 73167673

IUPAC4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)c3cccs3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C16H20N4O2S/c1-18-16(22)20(12-4-5-12)14(17-18)11-6-8-19(9-7-11)15(21)13-3-2-10-23-13/h2-3,10-12H,4-9H2,1H3
InChIKeyDIFDJHZAZOFILL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.00
Rot. Bonds3

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

4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 73167673) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID73167673
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)c3cccs3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C16H20N4O2S/c1-18-16(22)20(12-4-5-12)14(17-18)11-6-8-19(9-7-11)15(21)13-3-2-10-23-13/h2-3,10-12H,4-9H2,1H3
InChIKeyDIFDJHZAZOFILL-UHFFFAOYSA-N
XLogP2.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorobenzyl)-5-[1-(2-thienylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809852
4-[(4-Fluorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-YL]-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 91890577
N-[2-(Cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL]-N,5-dimethylthiophene-2-carboxamide
CID 91910878
4-cyclopropyl-1-methyl-3-(1-(2-(thiophen-2-yl)acetyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 73167671
4-cyclopropyl-3-(1-(2-(ethylthio)benzoyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 76146453
4-(4-methylbenzyl)-5-[1-(3-thienylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809832
4-(4-methylbenzyl)-5-{1-[(3-methyl-2-thienyl)carbonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809890
4-(4-methylbenzyl)-5-[1-(2-thienylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91890547
2-Methyl-7-(3-methylthiophene-2-carbonyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-D][1,4]diazepin-3-one
CID 91910614
2-(cyclopropylmethyl)-7-[(3-methyl-2-thienyl)carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922440
N~2~-[2-(Cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-A]azepin-7-YL]-3-methyl-2-thiophenecarboxamide
CID 91922674
3-Cyclopropyl-1-methyl-4-[1-(thiophene-3-carbonyl)piperidin-4-YL]-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 124077923

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 73167673) is 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cn1nc(C2CCN(C(=O)c3cccs3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is DIFDJHZAZOFILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-18-16(22)20(12-4-5-12)14(17-18)11-6-8-19(9-7-11)15(21)13-3-2-10-23-13/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 332.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 73167673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).