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

C12H18ClN5O2 — CID 62857072

IUPAC1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C12H18ClN5O2/c1-3-20-12-16-10(13)15-11(17-12)18-7-5-4-6-8(18)9(19)14-2/h8H,3-7H2,1-2H3,(H,14,19)
InChIKeyBEOHIEXYVZQBJN-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.03
Rot. Bonds4

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

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 62857072) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
PubChem CID62857072
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C12H18ClN5O2/c1-3-20-12-16-10(13)15-11(17-12)18-7-5-4-6-8(18)9(19)14-2/h8H,3-7H2,1-2H3,(H,14,19)
InChIKeyBEOHIEXYVZQBJN-UHFFFAOYSA-N
XLogP1.03
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.03
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-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide (CID 62857072) is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide is CCOc1nc(Cl)nc(N2CCCCC2C(=O)NC)n1.
What is the InChIKey of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is BEOHIEXYVZQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-3-20-12-16-10(13)15-11(17-12)18-7-5-4-6-8(18)9(19)14-2/h8H,3-7H2,1-2H3,(H,14,19).
What are the key properties of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide?
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 1.03, 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)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 62857072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).