ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate

C18H22FN5O3 — CID 42403773

IUPACethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(Cc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H22FN5O3/c1-2-27-18(26)23-9-7-15(8-10-23)20-17(25)16-12-24(22-21-16)11-13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)
InChIKeyCLNDKZSQGJOOFG-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 42403773) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID42403773
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Nameethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(Cc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H22FN5O3/c1-2-27-18(26)23-9-7-15(8-10-23)20-17(25)16-12-24(22-21-16)11-13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,25)
InChIKeyCLNDKZSQGJOOFG-UHFFFAOYSA-N
XLogP1.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
1-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 6488121
ethyl 4-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328677
N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide
CID 172906146
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
ethyl 4-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330082

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate (CID 42403773) is ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn(Cc3ccc(F)cc3)nn2)CC1.
What is the InChIKey of ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is CLNDKZSQGJOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-2-27-18(26)23-9-7-15(8-10-23)20-17(25)16-12-24(22-21-16)11-13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,25).
What are the key properties of ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42403773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).