1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C19H26N6O — CID 71655375

IUPAC1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1
InChIInChI=1S/C19H26N6O/c1-13-6-4-5-7-16(13)12-21-17(26)15-8-10-25(11-9-15)19-23-14(2)22-18(20-3)24-19/h4-7,15H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)
InChIKeyIDWDVOICHIEHPL-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 71655375) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID71655375
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1
InChIInChI=1S/C19H26N6O/c1-13-6-4-5-7-16(13)12-21-17(26)15-8-10-25(11-9-15)19-23-14(2)22-18(20-3)24-19/h4-7,15H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)
InChIKeyIDWDVOICHIEHPL-UHFFFAOYSA-N
XLogP2.06
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 71655375) is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1.
What is the InChIKey of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IDWDVOICHIEHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-6-4-5-7-16(13)12-21-17(26)15-8-10-25(11-9-15)19-23-14(2)22-18(20-3)24-19/h4-7,15H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24).
What are the key properties of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71655375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).