2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

C17H21FN4O2 — CID 126771742

IUPAC2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCOC(C)(C(=O)N1CCC(n2cncn2)CC1)c1ccccc1F
InChIInChI=1S/C17H21FN4O2/c1-17(24-2,14-5-3-4-6-15(14)18)16(23)21-9-7-13(8-10-21)22-12-19-11-20-22/h3-6,11-13H,7-10H2,1-2H3
InChIKeyVCMGKFGUGGRAJU-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 126771742) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID126771742
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCOC(C)(C(=O)N1CCC(n2cncn2)CC1)c1ccccc1F
InChIInChI=1S/C17H21FN4O2/c1-17(24-2,14-5-3-4-6-15(14)18)16(23)21-9-7-13(8-10-21)22-12-19-11-20-22/h3-6,11-13H,7-10H2,1-2H3
InChIKeyVCMGKFGUGGRAJU-UHFFFAOYSA-N
XLogP2.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91771828
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CID 10434000
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CID 14706493
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CID 14706495
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CID 14706501
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CID 15196319
CID 15196319

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one (CID 126771742) is 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one is COC(C)(C(=O)N1CCC(n2cncn2)CC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VCMGKFGUGGRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(24-2,14-5-3-4-6-15(14)18)16(23)21-9-7-13(8-10-21)22-12-19-11-20-22/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one?
2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 332.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-methoxy-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126771742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).