N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C24H26N4O4 — CID 71839636

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839636) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 71839636
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]n2)c1
• InChI: InChI=1S/C24H26N4O4/c1-30-19-4-2-3-17(13-19)21-15-20(26-27-21)16-7-9-28(10-8-16)24(29)25-18-5-6-22-23(14-18)32-12-11-31-22/h2-6,13-16H,7-12H2,1H3,(H,25,29)(H,26,27)
• InChIKey: DVGHZQOGSPJENF-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 88.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839636) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]n2)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?

The InChIKey is DVGHZQOGSPJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-19-4-2-3-17(13-19)21-15-20(26-27-21)16-7-9-28(10-8-16)24(29)25-18-5-6-22-23(14-18)32-12-11-31-22/h2-6,13-16H,7-12H2,1H3,(H,25,29)(H,26,27).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).