1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C20H28FN7O — CID 55839316

IUPAC1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN7O/c1-13(17-24-19(22)26-20(25-17)27(2)3)28-10-8-15(9-11-28)18(29)23-12-14-4-6-16(21)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyQJJAQVGTRRSTDL-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.75
Rot. Bonds6

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

1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 55839316) has the molecular formula C20H28FN7O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID55839316
Molecular FormulaC20H28FN7O
Molecular Weight401.49 g/mol
Exact Mass401.23
IUPAC Name1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN7O/c1-13(17-24-19(22)26-20(25-17)27(2)3)28-10-8-15(9-11-28)18(29)23-12-14-4-6-16(21)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyQJJAQVGTRRSTDL-UHFFFAOYSA-N
XLogP1.75
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 55839316) is 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CC(c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QJJAQVGTRRSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN7O/c1-13(17-24-19(22)26-20(25-17)27(2)3)28-10-8-15(9-11-28)18(29)23-12-14-4-6-16(21)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,23,29)(H2,22,24,25,26).
What are the key properties of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55839316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).