5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide

C15H18FN5O — CID 169402586

IUPAC5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C15H18FN5O/c16-12-8-10(13-14(15(17)22)19-20-18-13)4-5-11(12)9-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H2,17,22)(H,18,19,20)
InChIKeyKOOHPDPHVDLVOX-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.70
Rot. Bonds4

About 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide

5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402586) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402586
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C15H18FN5O/c16-12-8-10(13-14(15(17)22)19-20-18-13)4-5-11(12)9-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H2,17,22)(H,18,19,20)
InChIKeyKOOHPDPHVDLVOX-UHFFFAOYSA-N
XLogP1.70
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide (CID 169402586) is 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(CN2CCCCC2)c(F)c1.
What is the InChIKey of 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is KOOHPDPHVDLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-12-8-10(13-14(15(17)22)19-20-18-13)4-5-11(12)9-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H2,17,22)(H,18,19,20).
What are the key properties of 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).