2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C19H26FN5O2 — CID 131930223

IUPAC2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCC(C)n1nc(COc2ccc(F)cc2)nc1C1CCCN(CC(N)=O)C1
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-19(14-4-3-9-24(10-14)11-17(21)26)22-18(23-25)12-27-16-7-5-15(20)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,21,26)
InChIKeyOQRNZCHIQMBAGP-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.24
Rot. Bonds7

About 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 131930223) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID131930223
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCC(C)n1nc(COc2ccc(F)cc2)nc1C1CCCN(CC(N)=O)C1
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-19(14-4-3-9-24(10-14)11-17(21)26)22-18(23-25)12-27-16-7-5-15(20)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,21,26)
InChIKeyOQRNZCHIQMBAGP-UHFFFAOYSA-N
XLogP2.24
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 131930223) is 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is CC(C)n1nc(COc2ccc(F)cc2)nc1C1CCCN(CC(N)=O)C1.
What is the InChIKey of 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is OQRNZCHIQMBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-13(2)25-19(14-4-3-9-24(10-14)11-17(21)26)22-18(23-25)12-27-16-7-5-15(20)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,21,26).
What are the key properties of 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(4-fluorophenoxy)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131930223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).