1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C15H15FN6O — CID 129488680

IUPAC1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c(F)c1
InChIInChI=1S/C15H15FN6O/c16-12-6-10(7-17)3-4-13(12)21-5-1-2-11(8-21)22-9-19-15(20-22)14(18)23/h3-4,6,9,11H,1-2,5,8H2,(H2,18,23)/t11-/m1/s1
InChIKeyJRAHPUCOKQXRCH-LLVKDONJSA-N
MW314.32 g/mol
LogP1.23
Rot. Bonds3

About 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488680) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488680
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c(F)c1
InChIInChI=1S/C15H15FN6O/c16-12-6-10(7-17)3-4-13(12)21-5-1-2-11(8-21)22-9-19-15(20-22)14(18)23/h3-4,6,9,11H,1-2,5,8H2,(H2,18,23)/t11-/m1/s1
InChIKeyJRAHPUCOKQXRCH-LLVKDONJSA-N
XLogP1.23
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorobenzonitrile
CID 78955458
N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327787
ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
CID 95306784
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
3-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397554
N-[(3S)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 95239326
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
CID 95239331
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124554345

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488680) is 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is N#Cc1ccc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c(F)c1.
What is the InChIKey of 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is JRAHPUCOKQXRCH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-12-6-10(7-17)3-4-13(12)21-5-1-2-11(8-21)22-9-19-15(20-22)14(18)23/h3-4,6,9,11H,1-2,5,8H2,(H2,18,23)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).