(3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one

C28H29N3O2 — CID 124963538

About (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one

(3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one (PubChem CID 124963538) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one.

Molecular Properties

• Compound Name: (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one
• PubChem CID: 124963538
• Molecular Formula: C28H29N3O2
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.23
• IUPAC Name: (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one
• SMILES: Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C[C@H]3C(=O)N(C)c4ccccc43)C2)n1
• InChI: InChI=1S/C28H29N3O2/c1-19-15-22(20-9-4-3-5-10-20)16-25(29-19)21-11-8-14-31(18-21)27(32)17-24-23-12-6-7-13-26(23)30(2)28(24)33/h3-7,9-10,12-13,15-16,21,24H,8,11,14,17-18H2,1-2H3/t21-,24+/m0/s1
• InChIKey: HQZBZJRULGHVPL-XUZZJYLKSA-N
• XLogP: 4.91
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one?

The IUPAC name of (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one (CID 124963538) is (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one.

What is the SMILES notation for (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one?

The canonical SMILES for (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one is Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C[C@H]3C(=O)N(C)c4ccccc43)C2)n1.

What is the InChIKey of (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one?

The InChIKey is HQZBZJRULGHVPL-XUZZJYLKSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-19-15-22(20-9-4-3-5-10-20)16-25(29-19)21-11-8-14-31(18-21)27(32)17-24-23-12-6-7-13-26(23)30(2)28(24)33/h3-7,9-10,12-13,15-16,21,24H,8,11,14,17-18H2,1-2H3/t21-,24+/m0/s1.

What are the key properties of (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one?

(3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one has a molecular weight of 439.56 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one is sourced from PubChem (CID 124963538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).