2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C19H28N6O — CID 166314729

IUPAC2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)ccc1N
InChIInChI=1S/C19H28N6O/c1-13(2)24-8-6-16(7-9-24)21-19(26)12-25-11-18(22-23-25)15-4-5-17(20)14(3)10-15/h4-5,10-11,13,16H,6-9,12,20H2,1-3H3,(H,21,26)
InChIKeyXNSQWDQXLWUOLM-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 166314729) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID166314729
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)ccc1N
InChIInChI=1S/C19H28N6O/c1-13(2)24-8-6-16(7-9-24)21-19(26)12-25-11-18(22-23-25)15-4-5-17(20)14(3)10-15/h4-5,10-11,13,16H,6-9,12,20H2,1-3H3,(H,21,26)
InChIKeyXNSQWDQXLWUOLM-UHFFFAOYSA-N
XLogP1.82
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166329215
2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166329214
N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
CID 166251333
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 166314729) is 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is Cc1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)ccc1N.
What is the InChIKey of 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is XNSQWDQXLWUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13(2)24-8-6-16(7-9-24)21-19(26)12-25-11-18(22-23-25)15-4-5-17(20)14(3)10-15/h4-5,10-11,13,16H,6-9,12,20H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166314729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).