[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone

C16H20FN5O2 — CID 649399

IUPAC[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN5O2/c17-12-1-2-15-14(11-12)18-19-22(15)13-3-5-20(6-4-13)16(23)21-7-9-24-10-8-21/h1-2,11,13H,3-10H2
InChIKeyLIRMSMBURMOCDT-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.66
Rot. Bonds1

About [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone

[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 649399) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID649399
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN5O2/c17-12-1-2-15-14(11-12)18-19-22(15)13-3-5-20(6-4-13)16(23)21-7-9-24-10-8-21/h1-2,11,13H,3-10H2
InChIKeyLIRMSMBURMOCDT-UHFFFAOYSA-N
XLogP1.66
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 649399) is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is LIRMSMBURMOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-12-1-2-15-14(11-12)18-19-22(15)13-3-5-20(6-4-13)16(23)21-7-9-24-10-8-21/h1-2,11,13H,3-10H2.
What are the key properties of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 333.37 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 649399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).