N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide

C26H30FN3O5 — CID 42840203

About N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide

N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 42840203) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide
• PubChem CID: 42840203
• Molecular Formula: C26H30FN3O5
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.22
• IUPAC Name: N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide
• SMILES: CC(C)CNC(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C26H30FN3O5/c1-16(2)14-28-25(32)23(29-24(31)19-5-3-4-6-20(19)27)17-9-11-30(12-10-17)26(33)18-7-8-21-22(13-18)35-15-34-21/h3-8,13,16-17,23H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: FQODIPOJZIACEO-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide?

The IUPAC name of N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide (CID 42840203) is N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide.

What is the SMILES notation for N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide?

The canonical SMILES for N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide is CC(C)CNC(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide?

The InChIKey is FQODIPOJZIACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-16(2)14-28-25(32)23(29-24(31)19-5-3-4-6-20(19)27)17-9-11-30(12-10-17)26(33)18-7-8-21-22(13-18)35-15-34-21/h3-8,13,16-17,23H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,31).

What are the key properties of N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide?

N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 483.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 42840203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).