1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C20H26FN5O2 — CID 24793214

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H26FN5O2/c1-2-9-26-14-23-24-18(26)12-22-20(28)16-6-7-19(27)25(13-16)10-8-15-4-3-5-17(21)11-15/h3-5,11,14,16H,2,6-10,12-13H2,1H3,(H,22,28)
InChIKeyKHSVWFKAOACPET-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.92
Rot. Bonds8

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793214) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID24793214
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H26FN5O2/c1-2-9-26-14-23-24-18(26)12-22-20(28)16-6-7-19(27)25(13-16)10-8-15-4-3-5-17(21)11-15/h3-5,11,14,16H,2,6-10,12-13H2,1H3,(H,22,28)
InChIKeyKHSVWFKAOACPET-UHFFFAOYSA-N
XLogP1.92
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 24793214) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is CCCn1cnnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is KHSVWFKAOACPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-2-9-26-14-23-24-18(26)12-22-20(28)16-6-7-19(27)25(13-16)10-8-15-4-3-5-17(21)11-15/h3-5,11,14,16H,2,6-10,12-13H2,1H3,(H,22,28).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).