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

C19H26N4O2S — CID 121115010

IUPAC4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1csc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-13-11-16(26-12-13)18(24)22-9-7-14(8-10-22)17-20-21(2)19(25)23(17)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeySKQFKTPOZSTZMA-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.09
Rot. Bonds3

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

4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121115010) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121115010
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1csc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-13-11-16(26-12-13)18(24)22-9-7-14(8-10-22)17-20-21(2)19(25)23(17)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeySKQFKTPOZSTZMA-UHFFFAOYSA-N
XLogP3.09
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 121115010) is 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cc1csc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is SKQFKTPOZSTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-11-16(26-12-13)18(24)22-9-7-14(8-10-22)17-20-21(2)19(25)23(17)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 374.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121115010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).