1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C21H30FN7O — CID 56526559

IUPAC1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H30FN7O/c1-13(2)14(3)24-19(30)15-8-10-29(11-9-15)12-18-26-20(23)28-21(27-18)25-17-6-4-16(22)5-7-17/h4-7,13-15H,8-12H2,1-3H3,(H,24,30)(H3,23,25,26,27,28)
InChIKeyIJDULASDBYXCCZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.71
Rot. Bonds7

About 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 56526559) has the molecular formula C21H30FN7O and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID56526559
Molecular FormulaC21H30FN7O
Molecular Weight415.52 g/mol
Exact Mass415.25
IUPAC Name1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H30FN7O/c1-13(2)14(3)24-19(30)15-8-10-29(11-9-15)12-18-26-20(23)28-21(27-18)25-17-6-4-16(22)5-7-17/h4-7,13-15H,8-12H2,1-3H3,(H,24,30)(H3,23,25,26,27,28)
InChIKeyIJDULASDBYXCCZ-UHFFFAOYSA-N
XLogP2.71
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
CID 110880190
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
ethyl 6-[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33376946
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25470934
6-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 55432683
2-[4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 18226062
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 56526559) is 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is IJDULASDBYXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN7O/c1-13(2)14(3)24-19(30)15-8-10-29(11-9-15)12-18-26-20(23)28-21(27-18)25-17-6-4-16(22)5-7-17/h4-7,13-15H,8-12H2,1-3H3,(H,24,30)(H3,23,25,26,27,28).
What are the key properties of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56526559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).