N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

C21H24FN5O2 — CID 1469853

IUPACN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H24FN5O2/c1-2-29-18-6-4-16(5-7-18)23-21(28)14-26-11-9-17(10-12-26)27-20-8-3-15(22)13-19(20)24-25-27/h3-8,13,17H,2,9-12,14H2,1H3,(H,23,28)
InChIKeyKTILTSDFMFSWMI-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.24
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469853) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469853
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H24FN5O2/c1-2-29-18-6-4-16(5-7-18)23-21(28)14-26-11-9-17(10-12-26)27-20-8-3-15(22)13-19(20)24-25-27/h3-8,13,17H,2,9-12,14H2,1H3,(H,23,28)
InChIKeyKTILTSDFMFSWMI-UHFFFAOYSA-N
XLogP3.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469853) is N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is KTILTSDFMFSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-2-29-18-6-4-16(5-7-18)23-21(28)14-26-11-9-17(10-12-26)27-20-8-3-15(22)13-19(20)24-25-27/h3-8,13,17H,2,9-12,14H2,1H3,(H,23,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).