N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C23H26N2O6 — CID 1327634

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C23H26N2O6/c1-28-18-11-16(12-19(14-18)29-2)23(27)25-7-5-15(6-8-25)22(26)24-17-3-4-20-21(13-17)31-10-9-30-20/h3-4,11-15H,5-10H2,1-2H3,(H,24,26)
InChIKeyRTJXZOKGGUKPND-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.97
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1327634) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID1327634
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C23H26N2O6/c1-28-18-11-16(12-19(14-18)29-2)23(27)25-7-5-15(6-8-25)22(26)24-17-3-4-20-21(13-17)31-10-9-30-20/h3-4,11-15H,5-10H2,1-2H3,(H,24,26)
InChIKeyRTJXZOKGGUKPND-UHFFFAOYSA-N
XLogP2.97
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 1327634) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is RTJXZOKGGUKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-28-18-11-16(12-19(14-18)29-2)23(27)25-7-5-15(6-8-25)22(26)24-17-3-4-20-21(13-17)31-10-9-30-20/h3-4,11-15H,5-10H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).