N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide

C17H23N7O2 — CID 91843310

IUPACN-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCN(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C17H23N7O2/c1-13(25)21-15-4-2-14(3-5-15)10-18-16(26)11-23-6-8-24(9-7-23)17-19-12-20-22-17/h2-5,12H,6-11H2,1H3,(H,18,26)(H,21,25)(H,19,20,22)
InChIKeyVKEZCQLCHAFYSH-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.20
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide

N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 91843310) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
PubChem CID91843310
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCN(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C17H23N7O2/c1-13(25)21-15-4-2-14(3-5-15)10-18-16(26)11-23-6-8-24(9-7-23)17-19-12-20-22-17/h2-5,12H,6-11H2,1H3,(H,18,26)(H,21,25)(H,19,20,22)
InChIKeyVKEZCQLCHAFYSH-UHFFFAOYSA-N
XLogP0.20
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetamide
CID 91839582
N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
CID 91837123
N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124757287
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 124754716
N-[(4-acetamidophenyl)methyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 18154182
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-[(4-fluorophenyl)methyl]-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 29164830
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide (CID 91843310) is N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide is CC(=O)Nc1ccc(CNC(=O)CN2CCN(c3ncn[nH]3)CC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is VKEZCQLCHAFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-13(25)21-15-4-2-14(3-5-15)10-18-16(26)11-23-6-8-24(9-7-23)17-19-12-20-22-17/h2-5,12H,6-11H2,1H3,(H,18,26)(H,21,25)(H,19,20,22).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 91843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).