N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

C21H23FN6O3 — CID 125129114

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H23FN6O3/c1-12-11-28-18(20(30)23-12)17(25-26-28)21(31)27-9-7-15(8-10-27)19(29)24-13(2)14-3-5-16(22)6-4-14/h3-6,11,13,15H,7-10H2,1-2H3,(H,23,30)(H,24,29)/t13-/m0/s1
InChIKeyZIIFKXTWSKYSKU-ZDUSSCGKSA-N
MW426.45 g/mol
LogP1.59
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 125129114) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
PubChem CID125129114
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H23FN6O3/c1-12-11-28-18(20(30)23-12)17(25-26-28)21(31)27-9-7-15(8-10-27)19(29)24-13(2)14-3-5-16(22)6-4-14/h3-6,11,13,15H,7-10H2,1-2H3,(H,23,30)(H,24,29)/t13-/m0/s1
InChIKeyZIIFKXTWSKYSKU-ZDUSSCGKSA-N
XLogP1.59
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
CID 125126674
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 4884408
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 91889541
1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 99744304
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99748402
1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 133255016
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3216018

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (CID 125129114) is N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is Cc1cn2nnc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC3)c2c(=O)[nH]1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZIIFKXTWSKYSKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-12-11-28-18(20(30)23-12)17(25-26-28)21(31)27-9-7-15(8-10-27)19(29)24-13(2)14-3-5-16(22)6-4-14/h3-6,11,13,15H,7-10H2,1-2H3,(H,23,30)(H,24,29)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 125129114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).