3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide

C16H18FN5O2 — CID 126777702

IUPAC3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCCC1c1ncn[nH]1)c1cccc(F)c1
InChIInChI=1S/C16H18FN5O2/c17-12-5-3-4-11(8-12)16(24)18-9-14(23)22-7-2-1-6-13(22)15-19-10-20-21-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,24)(H,19,20,21)
InChIKeyAETLKDTWVIHAQI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.43
Rot. Bonds4

About 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 126777702) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID126777702
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCCC1c1ncn[nH]1)c1cccc(F)c1
InChIInChI=1S/C16H18FN5O2/c17-12-5-3-4-11(8-12)16(24)18-9-14(23)22-7-2-1-6-13(22)15-19-10-20-21-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,24)(H,19,20,21)
InChIKeyAETLKDTWVIHAQI-UHFFFAOYSA-N
XLogP1.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide (CID 126777702) is 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCCCC1c1ncn[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is AETLKDTWVIHAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-12-5-3-4-11(8-12)16(24)18-9-14(23)22-7-2-1-6-13(22)15-19-10-20-21-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,24)(H,19,20,21).
What are the key properties of 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 126777702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).