2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C24H29N5O2 — CID 90542873

IUPAC2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)16-25-22(30)17-28-14-12-20(13-15-28)23-26-27(2)24(31)29(23)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3,(H,25,30)
InChIKeyRDPPLYQJLUVFAR-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.38
Rot. Bonds6

About 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 90542873) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID90542873
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)16-25-22(30)17-28-14-12-20(13-15-28)23-26-27(2)24(31)29(23)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3,(H,25,30)
InChIKeyRDPPLYQJLUVFAR-UHFFFAOYSA-N
XLogP2.38
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide with MolForge

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Related Compounds

N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
CID 71793801
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 90542842
2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345449
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-methyl-5-[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540453
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 90542072
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540523
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104503
5-[1-[2-(5-aminotetrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56703636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 90542873) is 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RDPPLYQJLUVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)16-25-22(30)17-28-14-12-20(13-15-28)23-26-27(2)24(31)29(23)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 90542873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).