2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C20H29N5O — CID 50968658

IUPAC2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCc1ccccc1-n1nc(CC(C)C)nc1C1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H29N5O/c1-14(2)12-19-22-20(16-8-10-24(11-9-16)13-18(21)26)25(23-19)17-7-5-4-6-15(17)3/h4-7,14,16H,8-13H2,1-3H3,(H2,21,26)
InChIKeyYNGNTOSJMUFMLO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 50968658) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID50968658
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCc1ccccc1-n1nc(CC(C)C)nc1C1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H29N5O/c1-14(2)12-19-22-20(16-8-10-24(11-9-16)13-18(21)26)25(23-19)17-7-5-4-6-15(17)3/h4-7,14,16H,8-13H2,1-3H3,(H2,21,26)
InChIKeyYNGNTOSJMUFMLO-UHFFFAOYSA-N
XLogP2.44
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 50968658) is 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is Cc1ccccc1-n1nc(CC(C)C)nc1C1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is YNGNTOSJMUFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(2)12-19-22-20(16-8-10-24(11-9-16)13-18(21)26)25(23-19)17-7-5-4-6-15(17)3/h4-7,14,16H,8-13H2,1-3H3,(H2,21,26).
What are the key properties of 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 50968658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).