4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide

C23H33FN8O2 — CID 11431395

IUPAC4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCN(C(N)=O)CC3)n2)cc1F
InChIInChI=1S/C23H33FN8O2/c1-34-19-9-8-17(14-18(19)24)28-23-30-21(26-15-6-4-2-3-5-7-15)29-22(31-23)27-16-10-12-32(13-11-16)20(25)33/h8-9,14-16H,2-7,10-13H2,1H3,(H2,25,33)(H3,26,27,28,29,30,31)
InChIKeyOFNSSSIQKGHKSA-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.85
Rot. Bonds7

About 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide

4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide (PubChem CID 11431395) has the molecular formula C23H33FN8O2 and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
PubChem CID11431395
Molecular FormulaC23H33FN8O2
Molecular Weight472.57 g/mol
Exact Mass472.27
IUPAC Name4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCN(C(N)=O)CC3)n2)cc1F
InChIInChI=1S/C23H33FN8O2/c1-34-19-9-8-17(14-18(19)24)28-23-30-21(26-15-6-4-2-3-5-7-15)29-22(31-23)27-16-10-12-32(13-11-16)20(25)33/h8-9,14-16H,2-7,10-13H2,1H3,(H2,25,33)(H3,26,27,28,29,30,31)
InChIKeyOFNSSSIQKGHKSA-UHFFFAOYSA-N
XLogP3.85
TPSA130.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide with MolForge

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Related Compounds

6-(azepan-1-yl)-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 10296205
4-N-cycloheptyl-6-N-(3-fluoro-4-methoxyphenyl)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane
CID 159088516
6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 142668738
butanedioic acid;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 69207171
2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-(1,3,5,6-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 69483987
6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine;methane;pyrrolidine
CID 162241699
4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 140507690
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine
CID 160672748
2-N-cycloheptyl-6-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine iodide
CID 69485022
1-[3-[[4-(cycloheptylamino)-6-(4-methoxy-3-methylanilino)-1,3,5-triazin-2-yl]oxy]piperidin-1-yl]ethanone
CID 71128852
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide (CID 11431395) is 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide is COc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCN(C(N)=O)CC3)n2)cc1F.
What is the InChIKey of 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is OFNSSSIQKGHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN8O2/c1-34-19-9-8-17(14-18(19)24)28-23-30-21(26-15-6-4-2-3-5-7-15)29-22(31-23)27-16-10-12-32(13-11-16)20(25)33/h8-9,14-16H,2-7,10-13H2,1H3,(H2,25,33)(H3,26,27,28,29,30,31).
What are the key properties of 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide?
4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 11431395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).