1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide

C11H16ClN5O2 — CID 62858343

IUPAC1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H16ClN5O2/c1-13-8(18)7-5-3-4-6-17(7)10-14-9(12)15-11(16-10)19-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyGEMMTXXBYWQFIK-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.64
Rot. Bonds3

About 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 62858343) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
PubChem CID62858343
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H16ClN5O2/c1-13-8(18)7-5-3-4-6-17(7)10-14-9(12)15-11(16-10)19-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyGEMMTXXBYWQFIK-UHFFFAOYSA-N
XLogP0.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide (CID 62858343) is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc(Cl)nc(OC)n1.
What is the InChIKey of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is GEMMTXXBYWQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-13-8(18)7-5-3-4-6-17(7)10-14-9(12)15-11(16-10)19-2/h7H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 62858343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).