2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

C23H31ClN6O4 — CID 2979259

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H31ClN6O4/c1-17-15-18(24)5-6-19(17)34-16-20(31)25-7-12-33-23-27-21(29-8-3-2-4-9-29)26-22(28-23)30-10-13-32-14-11-30/h5-6,15H,2-4,7-14,16H2,1H3,(H,25,31)
InChIKeyAVRNKMIEMCQQEI-UHFFFAOYSA-N
MW490.99 g/mol
LogP2.23
Rot. Bonds9

About 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 2979259) has the molecular formula C23H31ClN6O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID2979259
Molecular FormulaC23H31ClN6O4
Molecular Weight490.99 g/mol
Exact Mass490.21
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H31ClN6O4/c1-17-15-18(24)5-6-19(17)34-16-20(31)25-7-12-33-23-27-21(29-8-3-2-4-9-29)26-22(28-23)30-10-13-32-14-11-30/h5-6,15H,2-4,7-14,16H2,1H3,(H,25,31)
InChIKeyAVRNKMIEMCQQEI-UHFFFAOYSA-N
XLogP2.23
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 2979259) is 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is AVRNKMIEMCQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6O4/c1-17-15-18(24)5-6-19(17)34-16-20(31)25-7-12-33-23-27-21(29-8-3-2-4-9-29)26-22(28-23)30-10-13-32-14-11-30/h5-6,15H,2-4,7-14,16H2,1H3,(H,25,31).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 490.99 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 2979259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).