2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C21H26N4O5 — CID 71837623

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C21H26N4O5/c1-13-18(20(26)24(2)3)23-19(30-13)14-6-8-25(9-7-14)21(27)22-15-4-5-16-17(12-15)29-11-10-28-16/h4-5,12,14H,6-11H2,1-3H3,(H,22,27)
InChIKeyOVKBJGCLQVGPSG-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837623) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837623
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C21H26N4O5/c1-13-18(20(26)24(2)3)23-19(30-13)14-6-8-25(9-7-14)21(27)22-15-4-5-16-17(12-15)29-11-10-28-16/h4-5,12,14H,6-11H2,1-3H3,(H,22,27)
InChIKeyOVKBJGCLQVGPSG-UHFFFAOYSA-N
XLogP2.87
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837623) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is OVKBJGCLQVGPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-13-18(20(26)24(2)3)23-19(30-13)14-6-8-25(9-7-14)21(27)22-15-4-5-16-17(12-15)29-11-10-28-16/h4-5,12,14H,6-11H2,1-3H3,(H,22,27).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).