N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide

C23H24FN5O3 — CID 68689167

IUPACN-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-15(30)25-19-13-16(10-11-18(19)24)22-26-23(28-27-22)20-9-5-6-12-29(20)21(31)14-32-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1
InChIKeySSGWQCRERAHADT-HXUWFJFHSA-N
MW437.48 g/mol
LogP3.70
Rot. Bonds6

About N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide

N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide (PubChem CID 68689167) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
PubChem CID68689167
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-15(30)25-19-13-16(10-11-18(19)24)22-26-23(28-27-22)20-9-5-6-12-29(20)21(31)14-32-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1
InChIKeySSGWQCRERAHADT-HXUWFJFHSA-N
XLogP3.70
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide (CID 68689167) is N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide is CC(=O)Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide?
The InChIKey is SSGWQCRERAHADT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15(30)25-19-13-16(10-11-18(19)24)22-26-23(28-27-22)20-9-5-6-12-29(20)21(31)14-32-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1.
What are the key properties of N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide?
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 68689167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).