(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide

C16H20FN5O — CID 125436060

IUPAC(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1cncn1)N1CCCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H20FN5O/c17-14-5-3-4-13(10-14)15-6-1-2-8-22(15)16(23)19-7-9-21-12-18-11-20-21/h3-5,10-12,15H,1-2,6-9H2,(H,19,23)/t15-/m0/s1
InChIKeyWDBUZSIIKNWWGW-HNNXBMFYSA-N
MW317.37 g/mol
LogP2.35
Rot. Bonds4

About (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide

(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 125436060) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID125436060
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1cncn1)N1CCCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H20FN5O/c17-14-5-3-4-13(10-14)15-6-1-2-8-22(15)16(23)19-7-9-21-12-18-11-20-21/h3-5,10-12,15H,1-2,6-9H2,(H,19,23)/t15-/m0/s1
InChIKeyWDBUZSIIKNWWGW-HNNXBMFYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide
CID 126434486
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94057824
(3R)-3-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 125131139
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
3-[1-[2-(1,2,4-triazol-1-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 155950320
2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 120756895
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide (CID 125436060) is (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide is O=C(NCCn1cncn1)N1CCCC[C@H]1c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is WDBUZSIIKNWWGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-5-3-4-13(10-14)15-6-1-2-8-22(15)16(23)19-7-9-21-12-18-11-20-21/h3-5,10-12,15H,1-2,6-9H2,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide?
(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 125436060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).