1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C13H23FN4O2S — CID 75443726

IUPAC1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3
InChIKeyQKMUGIPAVQQNEZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.73
Rot. Bonds6

About 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 75443726) has the molecular formula C13H23FN4O2S and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID75443726
Molecular FormulaC13H23FN4O2S
Molecular Weight318.42 g/mol
Exact Mass318.15
IUPAC Name1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3
InChIKeyQKMUGIPAVQQNEZ-UHFFFAOYSA-N
XLogP1.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 75443726) is 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCCN(S(=O)(=O)CCCF)C1.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QKMUGIPAVQQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 318.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 75443726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).