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

C20H20F3N5O — CID 1469550

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)15-5-1-2-6-16(15)24-19(29)13-27-11-9-14(10-12-27)28-18-8-4-3-7-17(18)25-26-28/h1-8,14H,9-13H2,(H,24,29)
InChIKeyNUWOJBJLHFYOPB-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.73
Rot. Bonds4

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

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1469550) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1469550
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)15-5-1-2-6-16(15)24-19(29)13-27-11-9-14(10-12-27)28-18-8-4-3-7-17(18)25-26-28/h1-8,14H,9-13H2,(H,24,29)
InChIKeyNUWOJBJLHFYOPB-UHFFFAOYSA-N
XLogP3.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.73
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-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1469550) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NUWOJBJLHFYOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)15-5-1-2-6-16(15)24-19(29)13-27-11-9-14(10-12-27)28-18-8-4-3-7-17(18)25-26-28/h1-8,14H,9-13H2,(H,24,29).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 3.73, 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-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1469550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).