4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide

C17H22FN5O2 — CID 99830558

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide
SMILESCCc1nc(C2CCN(C(=O)Nc3c(F)cccc3OC)CC2)n[nH]1
InChIInChI=1S/C17H22FN5O2/c1-3-14-19-16(22-21-14)11-7-9-23(10-8-11)17(24)20-15-12(18)5-4-6-13(15)25-2/h4-6,11H,3,7-10H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyBPCYEDWCHPJJKG-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.93
Rot. Bonds4

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 99830558) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide
PubChem CID99830558
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide
SMILESCCc1nc(C2CCN(C(=O)Nc3c(F)cccc3OC)CC2)n[nH]1
InChIInChI=1S/C17H22FN5O2/c1-3-14-19-16(22-21-14)11-7-9-23(10-8-11)17(24)20-15-12(18)5-4-6-13(15)25-2/h4-6,11H,3,7-10H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyBPCYEDWCHPJJKG-UHFFFAOYSA-N
XLogP2.93
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(6-fluoro-2,3-dimethoxyphenyl)methanone
CID 126778092
2-(5-chloro-2-methoxyphenyl)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126793023
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
N-[(2R)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99795481
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
CID 138035163
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 157468431
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide (CID 99830558) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide is CCc1nc(C2CCN(C(=O)Nc3c(F)cccc3OC)CC2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is BPCYEDWCHPJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-14-19-16(22-21-14)11-7-9-23(10-8-11)17(24)20-15-12(18)5-4-6-13(15)25-2/h4-6,11H,3,7-10H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 99830558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).