3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide

C18H24FN5O2 — CID 166278444

IUPAC3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(c2cc(O)cc(F)c2)C1)C(C)n1cncn1
InChIInChI=1S/C18H24FN5O2/c1-12(13(2)24-11-20-10-21-24)22-18(26)23-5-3-4-14(9-23)15-6-16(19)8-17(25)7-15/h6-8,10-14,25H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyXZLZOCGAYWJQAM-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.66
Rot. Bonds4

About 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide

3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 166278444) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide
PubChem CID166278444
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(c2cc(O)cc(F)c2)C1)C(C)n1cncn1
InChIInChI=1S/C18H24FN5O2/c1-12(13(2)24-11-20-10-21-24)22-18(26)23-5-3-4-14(9-23)15-6-16(19)8-17(25)7-15/h6-8,10-14,25H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyXZLZOCGAYWJQAM-UHFFFAOYSA-N
XLogP2.66
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide (CID 166278444) is 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide is CC(NC(=O)N1CCCC(c2cc(O)cc(F)c2)C1)C(C)n1cncn1.
What is the InChIKey of 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is XZLZOCGAYWJQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-12(13(2)24-11-20-10-21-24)22-18(26)23-5-3-4-14(9-23)15-6-16(19)8-17(25)7-15/h6-8,10-14,25H,3-5,9H2,1-2H3,(H,22,26).
What are the key properties of 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide?
3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-hydroxyphenyl)-N-[3-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 166278444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).