(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C20H27F3N4O2 — CID 95343584

About (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 95343584) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 95343584
• Molecular Formula: C20H27F3N4O2
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.21
• IUPAC Name: (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: C[C@@H](CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)CN1CCCC1=O
• InChI: InChI=1S/C20H27F3N4O2/c1-14(12-26-9-4-7-17(26)28)11-25-19(29)15-5-3-10-27(13-15)18-16(20(21,22)23)6-2-8-24-18/h2,6,8,14-15H,3-5,7,9-13H2,1H3,(H,25,29)/t14-,15-/m0/s1
• InChIKey: PZNSQOOOHFLHEX-GJZGRUSLSA-N
• XLogP: 2.69
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 95343584) is (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is C[C@@H](CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)CN1CCCC1=O.

What is the InChIKey of (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is PZNSQOOOHFLHEX-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c1-14(12-26-9-4-7-17(26)28)11-25-19(29)15-5-3-10-27(13-15)18-16(20(21,22)23)6-2-8-24-18/h2,6,8,14-15H,3-5,7,9-13H2,1H3,(H,25,29)/t14-,15-/m0/s1.

What are the key properties of (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 95343584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).