4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide

C29H36N8O4 — CID 56670464

IUPAC4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCN4CCCCC4)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C29H36N8O4/c1-40-29-34-25(33-27(35-29)37-17-19-41-20-18-37)21-5-9-23(10-6-21)31-28(39)32-24-11-7-22(8-12-24)26(38)30-13-16-36-14-3-2-4-15-36/h5-12H,2-4,13-20H2,1H3,(H,30,38)(H2,31,32,39)
InChIKeyAKFJKRXXJVIFOI-UHFFFAOYSA-N
MW560.66 g/mol
LogP3.24
Rot. Bonds9

About 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide

4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 56670464) has the molecular formula C29H36N8O4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID56670464
Molecular FormulaC29H36N8O4
Molecular Weight560.66 g/mol
Exact Mass560.29
IUPAC Name4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCN4CCCCC4)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C29H36N8O4/c1-40-29-34-25(33-27(35-29)37-17-19-41-20-18-37)21-5-9-23(10-6-21)31-28(39)32-24-11-7-22(8-12-24)26(38)30-13-16-36-14-3-2-4-15-36/h5-12H,2-4,13-20H2,1H3,(H,30,38)(H2,31,32,39)
InChIKeyAKFJKRXXJVIFOI-UHFFFAOYSA-N
XLogP3.24
TPSA133.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.66
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide (CID 56670464) is 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide is COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCN4CCCCC4)cc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is AKFJKRXXJVIFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O4/c1-40-29-34-25(33-27(35-29)37-17-19-41-20-18-37)21-5-9-23(10-6-21)31-28(39)32-24-11-7-22(8-12-24)26(38)30-13-16-36-14-3-2-4-15-36/h5-12H,2-4,13-20H2,1H3,(H,30,38)(H2,31,32,39).
What are the key properties of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 560.66 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 56670464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).