1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide

C18H20FN5O2 — CID 47049161

IUPAC1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H20FN5O2/c19-15-9-14(3-4-16(15)24-11-20-10-21-24)22-17(25)12-5-7-23(8-6-12)18(26)13-1-2-13/h3-4,9-13H,1-2,5-8H2,(H,22,25)
InChIKeyZOWGVBJEBBMLRV-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.99
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 47049161) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID47049161
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H20FN5O2/c19-15-9-14(3-4-16(15)24-11-20-10-21-24)22-17(25)12-5-7-23(8-6-12)18(26)13-1-2-13/h3-4,9-13H,1-2,5-8H2,(H,22,25)
InChIKeyZOWGVBJEBBMLRV-UHFFFAOYSA-N
XLogP1.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide (CID 47049161) is 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZOWGVBJEBBMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-15-9-14(3-4-16(15)24-11-20-10-21-24)22-17(25)12-5-7-23(8-6-12)18(26)13-1-2-13/h3-4,9-13H,1-2,5-8H2,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 47049161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).