2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide

C20H23N5O — CID 1469608

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C20H23N5O/c1-15-6-2-3-7-17(15)21-20(26)14-24-12-10-16(11-13-24)25-19-9-5-4-8-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26)
InChIKeyRUHJJAHVLMSUIA-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.02
Rot. Bonds4

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 1469608) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID1469608
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C20H23N5O/c1-15-6-2-3-7-17(15)21-20(26)14-24-12-10-16(11-13-24)25-19-9-5-4-8-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26)
InChIKeyRUHJJAHVLMSUIA-UHFFFAOYSA-N
XLogP3.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide (CID 1469608) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is RUHJJAHVLMSUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-2-3-7-17(15)21-20(26)14-24-12-10-16(11-13-24)25-19-9-5-4-8-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1469608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).