N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide

C19H24FN5O2 — CID 47047413

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)n1cncn1
InChIInChI=1S/C19H24FN5O2/c1-14(25-13-21-12-23-25)19(27)24-10-7-16(8-11-24)18(26)22-9-6-15-4-2-3-5-17(15)20/h2-5,12-14,16H,6-11H2,1H3,(H,22,26)
InChIKeyUCWVUDBGYKDLOG-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 47047413) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
PubChem CID47047413
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)n1cncn1
InChIInChI=1S/C19H24FN5O2/c1-14(25-13-21-12-23-25)19(27)24-10-7-16(8-11-24)18(26)22-9-6-15-4-2-3-5-17(15)20/h2-5,12-14,16H,6-11H2,1H3,(H,22,26)
InChIKeyUCWVUDBGYKDLOG-UHFFFAOYSA-N
XLogP1.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738817
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide (CID 47047413) is N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide is CC(C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)n1cncn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is UCWVUDBGYKDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-14(25-13-21-12-23-25)19(27)24-10-7-16(8-11-24)18(26)22-9-6-15-4-2-3-5-17(15)20/h2-5,12-14,16H,6-11H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 47047413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).