(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C28H33FN4O3 — CID 41168133

About (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 41168133) has the molecular formula C28H33FN4O3 and a molecular weight of 492.60 g/mol. Its IUPAC name is (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
• PubChem CID: 41168133
• Molecular Formula: C28H33FN4O3
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.25
• IUPAC Name: (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
• SMILES: Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)CC2=O)cc1
• InChI: InChI=1S/C28H33FN4O3/c1-20-2-6-25(7-3-20)33-19-22(18-26(33)34)28(36)31-12-10-21(11-13-31)27(35)32-16-14-30(15-17-32)24-8-4-23(29)5-9-24/h2-9,21-22H,10-19H2,1H3/t22-/m0/s1
• InChIKey: JTFJPNUOPVGRBI-QFIPXVFZSA-N
• XLogP: 3.07
• TPSA: 64.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?

The IUPAC name of (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 41168133) is (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

What is the SMILES notation for (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?

The canonical SMILES for (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)CC2=O)cc1.

What is the InChIKey of (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?

The InChIKey is JTFJPNUOPVGRBI-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H33FN4O3/c1-20-2-6-25(7-3-20)33-19-22(18-26(33)34)28(36)31-12-10-21(11-13-31)27(35)32-16-14-30(15-17-32)24-8-4-23(29)5-9-24/h2-9,21-22H,10-19H2,1H3/t22-/m0/s1.

What are the key properties of (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?

(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 492.60 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 41168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).