N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide

C₂₆H₃₀FN₃O₃ — CID 93199975

About N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide (PubChem CID 93199975) has the molecular formula C₂₆H₃₀FN₃O₃ and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
• PubChem CID: 93199975
• Molecular Formula: C₂₆H₃₀FN₃O₃
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.23
• IUPAC Name: N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
• InChI: InChI=1S/C26H30FN3O3/c1-18-7-9-20(10-8-18)24(31)28-23(26(33)29-13-2-3-14-29)19-11-15-30(16-12-19)25(32)21-5-4-6-22(27)17-21/h4-10,17,19,23H,2-3,11-16H2,1H3,(H,28,31)/t23-/m1/s1
• InChIKey: CTCPEGXGFLAQJZ-HSZRJFAPSA-N
• XLogP: 3.41
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide (CID 93199975) is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide.

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

The canonical SMILES for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.

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

The InChIKey is CTCPEGXGFLAQJZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-18-7-9-20(10-8-18)24(31)28-23(26(33)29-13-2-3-14-29)19-11-15-30(16-12-19)25(32)21-5-4-6-22(27)17-21/h4-10,17,19,23H,2-3,11-16H2,1H3,(H,28,31)/t23-/m1/s1.

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

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 451.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 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-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 93199975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 93199975 — identifiers, structure, computed properties (public domain)

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