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

C15H25N5O3 — CID 3222668

IUPACN-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C15H25N5O3/c1-4-5-8-16-12(21)11-6-9-20(10-7-11)13-17-14(22-2)19-15(18-13)23-3/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyWDEDXAMPAKTKQW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.02
Rot. Bonds7

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

N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 3222668) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID3222668
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C15H25N5O3/c1-4-5-8-16-12(21)11-6-9-20(10-7-11)13-17-14(22-2)19-15(18-13)23-3/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyWDEDXAMPAKTKQW-UHFFFAOYSA-N
XLogP1.02
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 3222668) is N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1.
What is the InChIKey of N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is WDEDXAMPAKTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-5-8-16-12(21)11-6-9-20(10-7-11)13-17-14(22-2)19-15(18-13)23-3/h11H,4-10H2,1-3H3,(H,16,21).
What are the key properties of N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3222668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).