1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide

C21H23N5O3 — CID 655932

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,22,27)
InChIKeyOZUDLTGLKQLGOV-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.90
Rot. Bonds5

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide (PubChem CID 655932) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
PubChem CID655932
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,22,27)
InChIKeyOZUDLTGLKQLGOV-UHFFFAOYSA-N
XLogP2.90
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide (CID 655932) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
The InChIKey is OZUDLTGLKQLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,22,27).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 655932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).