1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C16H21N5O4 — CID 647926

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1
InChIInChI=1S/C16H21N5O4/c1-23-15-18-14(19-16(20-15)24-2)21-7-5-11(6-8-21)13(22)17-10-12-4-3-9-25-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22)
InChIKeyNOYDEJJJQUDMAS-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.01
Rot. Bonds6

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 647926) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID647926
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1
InChIInChI=1S/C16H21N5O4/c1-23-15-18-14(19-16(20-15)24-2)21-7-5-11(6-8-21)13(22)17-10-12-4-3-9-25-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22)
InChIKeyNOYDEJJJQUDMAS-UHFFFAOYSA-N
XLogP1.01
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 647926) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NOYDEJJJQUDMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-23-15-18-14(19-16(20-15)24-2)21-7-5-11(6-8-21)13(22)17-10-12-4-3-9-25-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 647926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).