N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide

C17H21FN6O2 — CID 31336271

IUPACN-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCn2cncn2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H21FN6O2/c18-14-1-3-15(4-2-14)21-16(25)11-22-7-9-23(10-8-22)17(26)5-6-24-13-19-12-20-24/h1-4,12-13H,5-11H2,(H,21,25)
InChIKeyVXINGGKMKXLBLQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.59
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 31336271) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID31336271
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC NameN-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCn2cncn2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H21FN6O2/c18-14-1-3-15(4-2-14)21-16(25)11-22-7-9-23(10-8-22)17(26)5-6-24-13-19-12-20-24/h1-4,12-13H,5-11H2,(H,21,25)
InChIKeyVXINGGKMKXLBLQ-UHFFFAOYSA-N
XLogP0.59
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide (CID 31336271) is N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCn2cncn2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is VXINGGKMKXLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c18-14-1-3-15(4-2-14)21-16(25)11-22-7-9-23(10-8-22)17(26)5-6-24-13-19-12-20-24/h1-4,12-13H,5-11H2,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31336271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).