1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide

C17H20FN5O2S — CID 55524142

IUPAC1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
SMILESCC(Sc1n[nH]c(-c2ccccc2F)n1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H20FN5O2S/c1-10(16(25)23-8-6-11(7-9-23)14(19)24)26-17-20-15(21-22-17)12-4-2-3-5-13(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyRTBRDFWCPRIUGW-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide

1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide (PubChem CID 55524142) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
PubChem CID55524142
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC Name1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
SMILESCC(Sc1n[nH]c(-c2ccccc2F)n1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H20FN5O2S/c1-10(16(25)23-8-6-11(7-9-23)14(19)24)26-17-20-15(21-22-17)12-4-2-3-5-13(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyRTBRDFWCPRIUGW-UHFFFAOYSA-N
XLogP1.82
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 51235708
(2R)-N-cycloheptyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954127
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954000
(2S)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one
CID 7770465
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 11915151
N-(2,6-dimethylphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51235703
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 27409116
(2S)-N-(2,6-dimethylphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954152
6-amino-5-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42885228
5-(2-fluorophenyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
CID 84603154
1-(azocan-1-yl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 40769995
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide (CID 55524142) is 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide is CC(Sc1n[nH]c(-c2ccccc2F)n1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is RTBRDFWCPRIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S/c1-10(16(25)23-8-6-11(7-9-23)14(19)24)26-17-20-15(21-22-17)12-4-2-3-5-13(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,24)(H,20,21,22).
What are the key properties of 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55524142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).