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

C19H26N6O2 — CID 71655376

IUPACN-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-13-22-18(20-2)24-19(23-13)25-10-8-14(9-11-25)17(26)21-12-15-6-4-5-7-16(15)27-3/h4-7,14H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)
InChIKeyYKXLBDISPSRBNX-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.76
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 71655376) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
PubChem CID71655376
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-13-22-18(20-2)24-19(23-13)25-10-8-14(9-11-25)17(26)21-12-15-6-4-5-7-16(15)27-3/h4-7,14H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)
InChIKeyYKXLBDISPSRBNX-UHFFFAOYSA-N
XLogP1.76
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 71655376) is N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC)CC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The InChIKey is YKXLBDISPSRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-22-18(20-2)24-19(23-13)25-10-8-14(9-11-25)17(26)21-12-15-6-4-5-7-16(15)27-3/h4-7,14H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).