N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

C24H29N3O6 — CID 16827206

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O6/c1-30-18-4-5-19(21(14-18)31-2)26-23(28)15-27-9-7-16(8-10-27)24(29)25-17-3-6-20-22(13-17)33-12-11-32-20/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyLINCCIUJHJUFBR-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.76
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16827206) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16827206
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O6/c1-30-18-4-5-19(21(14-18)31-2)26-23(28)15-27-9-7-16(8-10-27)24(29)25-17-3-6-20-22(13-17)33-12-11-32-20/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyLINCCIUJHJUFBR-UHFFFAOYSA-N
XLogP2.76
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16827206) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is COc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LINCCIUJHJUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-30-18-4-5-19(21(14-18)31-2)26-23(28)15-27-9-7-16(8-10-27)24(29)25-17-3-6-20-22(13-17)33-12-11-32-20/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16827206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).