N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

C23H29N3O3 — CID 46979822

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 46979822) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
• PubChem CID: 46979822
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
• SMILES: CC(NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H29N3O3/c1-17(19-5-6-21-22(16-19)29-15-14-28-21)25-23(27)18-7-11-26(12-8-18)13-9-20-4-2-3-10-24-20/h2-6,10,16-18H,7-9,11-15H2,1H3,(H,25,27)
• InChIKey: PZDXCAIHQZDHRB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?

The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (CID 46979822) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?

The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?

The InChIKey is PZDXCAIHQZDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(19-5-6-21-22(16-19)29-15-14-28-21)25-23(27)18-7-11-26(12-8-18)13-9-20-4-2-3-10-24-20/h2-6,10,16-18H,7-9,11-15H2,1H3,(H,25,27).

What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).