N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide

C26H32FN3O3 — CID 93199679

About N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 93199679) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
• PubChem CID: 93199679
• Molecular Formula: C26H32FN3O3
• Molecular Weight: 453.56 g/mol
• Exact Mass: 453.24
• IUPAC Name: N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
• InChI: InChI=1S/C26H32FN3O3/c1-17(2)16-28-25(32)23(29-24(31)20-9-7-18(3)8-10-20)19-11-13-30(14-12-19)26(33)21-5-4-6-22(27)15-21/h4-10,15,17,19,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m1/s1
• InChIKey: HPZGLQQGRGNGCY-HSZRJFAPSA-N
• XLogP: 3.56
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.56
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide?

The IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide (CID 93199679) is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide.

What is the SMILES notation for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide?

The canonical SMILES for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.

What is the InChIKey of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide?

The InChIKey is HPZGLQQGRGNGCY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-17(2)16-28-25(32)23(29-24(31)20-9-7-18(3)8-10-20)19-11-13-30(14-12-19)26(33)21-5-4-6-22(27)15-21/h4-10,15,17,19,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide?

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 453.56 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 93199679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).