N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

C21H22F3N5O2 — CID 1469643

IUPACN-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-31-17-5-3-15(4-6-17)25-20(30)13-28-10-8-16(9-11-28)29-19-7-2-14(21(22,23)24)12-18(19)26-27-29/h2-7,12,16H,8-11,13H2,1H3,(H,25,30)
InChIKeyRXXKMLPIUNUVRP-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.73
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 1469643) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID1469643
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC NameN-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-31-17-5-3-15(4-6-17)25-20(30)13-28-10-8-16(9-11-28)29-19-7-2-14(21(22,23)24)12-18(19)26-27-29/h2-7,12,16H,8-11,13H2,1H3,(H,25,30)
InChIKeyRXXKMLPIUNUVRP-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 1469643) is N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is RXXKMLPIUNUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-31-17-5-3-15(4-6-17)25-20(30)13-28-10-8-16(9-11-28)29-19-7-2-14(21(22,23)24)12-18(19)26-27-29/h2-7,12,16H,8-11,13H2,1H3,(H,25,30).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 433.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 1469643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).