N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C24H24N2O5S — CID 46568124

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 46568124) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 46568124
• Molecular Formula: C24H24N2O5S
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.14
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• SMILES: O=C(c1ccoc1)N1CCCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1
• InChI: InChI=1S/C24H24N2O5S/c27-23(18-7-9-29-16-18)25-8-1-3-17(14-25)24(28)26(15-20-4-2-12-32-20)19-5-6-21-22(13-19)31-11-10-30-21/h2,4-7,9,12-13,16-17H,1,3,8,10-11,14-15H2
• InChIKey: WMEITVXYXLTNDZ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 46568124) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(c1ccoc1)N1CCCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is WMEITVXYXLTNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-23(18-7-9-29-16-18)25-8-1-3-17(14-25)24(28)26(15-20-4-2-12-32-20)19-5-6-21-22(13-19)31-11-10-30-21/h2,4-7,9,12-13,16-17H,1,3,8,10-11,14-15H2.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 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-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46568124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).