4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide

C16H20FN5O — CID 72843940

IUPAC4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(C2CCCNC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O/c17-14-5-3-12(4-6-14)16(23)19-8-9-22-11-15(20-21-22)13-2-1-7-18-10-13/h3-6,11,13,18H,1-2,7-10H2,(H,19,23)
InChIKeyNIGSCVJAZMZFHJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.31
Rot. Bonds5

About 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide

4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide (PubChem CID 72843940) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide
PubChem CID72843940
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(C2CCCNC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O/c17-14-5-3-12(4-6-14)16(23)19-8-9-22-11-15(20-21-22)13-2-1-7-18-10-13/h3-6,11,13,18H,1-2,7-10H2,(H,19,23)
InChIKeyNIGSCVJAZMZFHJ-UHFFFAOYSA-N
XLogP1.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide (CID 72843940) is 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide is O=C(NCCn1cc(C2CCCNC2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide?
The InChIKey is NIGSCVJAZMZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-5-3-12(4-6-14)16(23)19-8-9-22-11-15(20-21-22)13-2-1-7-18-10-13/h3-6,11,13,18H,1-2,7-10H2,(H,19,23).
What are the key properties of 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide?
4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide has a molecular weight of 317.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 72843940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).