2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C18H24N6O2 — CID 56891685

IUPAC2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c(C)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-12-3-5-14(6-4-12)11-24-8-7-19-18(26)15(24)9-17(25)20-10-16-21-13(2)22-23-16/h3-6,15H,7-11H2,1-2H3,(H,19,26)(H,20,25)(H,21,22,23)
InChIKeyTZDOVLKVWPRHKF-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.43
Rot. Bonds6

About 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56891685) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56891685
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c(C)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-12-3-5-14(6-4-12)11-24-8-7-19-18(26)15(24)9-17(25)20-10-16-21-13(2)22-23-16/h3-6,15H,7-11H2,1-2H3,(H,19,26)(H,20,25)(H,21,22,23)
InChIKeyTZDOVLKVWPRHKF-UHFFFAOYSA-N
XLogP0.43
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 56891685) is 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c(C)n2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is TZDOVLKVWPRHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-3-5-14(6-4-12)11-24-8-7-19-18(26)15(24)9-17(25)20-10-16-21-13(2)22-23-16/h3-6,15H,7-11H2,1-2H3,(H,19,26)(H,20,25)(H,21,22,23).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56891685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).