1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

C11H16ClN5O2 — CID 62859553

IUPAC1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C11H16ClN5O2/c1-2-19-11-15-9(12)14-10(16-11)17-5-3-4-7(6-17)8(13)18/h7H,2-6H2,1H3,(H2,13,18)
InChIKeyKZCNNDHYDDYPNU-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.63
Rot. Bonds4

About 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (PubChem CID 62859553) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
PubChem CID62859553
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C11H16ClN5O2/c1-2-19-11-15-9(12)14-10(16-11)17-5-3-4-7(6-17)8(13)18/h7H,2-6H2,1H3,(H2,13,18)
InChIKeyKZCNNDHYDDYPNU-UHFFFAOYSA-N
XLogP0.63
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 55124177
ethyl 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877533
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 80756673
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 55124180
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862485
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (CID 62859553) is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is CCOc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The InChIKey is KZCNNDHYDDYPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-2-19-11-15-9(12)14-10(16-11)17-5-3-4-7(6-17)8(13)18/h7H,2-6H2,1H3,(H2,13,18).
What are the key properties of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 62859553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).