2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide

C20H22ClN5O — CID 1469549

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1Cl
InChIInChI=1S/C20H22ClN5O/c1-14-6-7-15(12-17(14)21)22-20(27)13-25-10-8-16(9-11-25)26-19-5-3-2-4-18(19)23-24-26/h2-7,12,16H,8-11,13H2,1H3,(H,22,27)
InChIKeyOYBZLVGWIBYXIY-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 1469549) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID1469549
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1Cl
InChIInChI=1S/C20H22ClN5O/c1-14-6-7-15(12-17(14)21)22-20(27)13-25-10-8-16(9-11-25)26-19-5-3-2-4-18(19)23-24-26/h2-7,12,16H,8-11,13H2,1H3,(H,22,27)
InChIKeyOYBZLVGWIBYXIY-UHFFFAOYSA-N
XLogP3.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.67
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-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide (CID 1469549) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1Cl.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is OYBZLVGWIBYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14-6-7-15(12-17(14)21)22-20(27)13-25-10-8-16(9-11-25)26-19-5-3-2-4-18(19)23-24-26/h2-7,12,16H,8-11,13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.67, 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-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 1469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).