1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone

C12H18N4O3 — CID 63844978

IUPAC1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
SMILESCOc1nc(OC)nc(N2CCC(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h9H,4-7H2,1-3H3
InChIKeyYQQUWQYQDHWWSX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds4

About 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone

1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone (PubChem CID 63844978) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
PubChem CID63844978
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
SMILESCOc1nc(OC)nc(N2CCC(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h9H,4-7H2,1-3H3
InChIKeyYQQUWQYQDHWWSX-UHFFFAOYSA-N
XLogP0.69
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357717
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 3222669
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348983
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
CID 171697727
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 106838427
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 3222671
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpiperidin-4-amine
CID 62861936

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone (CID 63844978) is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone is COc1nc(OC)nc(N2CCC(C(C)=O)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone?
The InChIKey is YQQUWQYQDHWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h9H,4-7H2,1-3H3.
What are the key properties of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone?
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone has a molecular weight of 266.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 63844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).