3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol

C28H39N3O — CID 156736843

About 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol

3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 156736843) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol
• PubChem CID: 156736843
• Molecular Formula: C28H39N3O
• Molecular Weight: 433.64 g/mol
• Exact Mass: 433.31
• IUPAC Name: 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol
• SMILES: CCn1c(-c2cccnc2C(C)C)c(CC(C)(C)CO)c2cc(N3CCCCC3)ccc21
• InChI: InChI=1S/C28H39N3O/c1-6-31-25-13-12-21(30-15-8-7-9-16-30)17-23(25)24(18-28(4,5)19-32)27(31)22-11-10-14-29-26(22)20(2)3/h10-14,17,20,32H,6-9,15-16,18-19H2,1-5H3
• InChIKey: UKQLXAVFCKWLON-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.64
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol?

The IUPAC name of 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol (CID 156736843) is 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol?

The canonical SMILES for 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol is CCn1c(-c2cccnc2C(C)C)c(CC(C)(C)CO)c2cc(N3CCCCC3)ccc21.

What is the InChIKey of 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol?

The InChIKey is UKQLXAVFCKWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-6-31-25-13-12-21(30-15-8-7-9-16-30)17-23(25)24(18-28(4,5)19-32)27(31)22-11-10-14-29-26(22)20(2)3/h10-14,17,20,32H,6-9,15-16,18-19H2,1-5H3.

What are the key properties of 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol?

3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 433.64 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-ethyl-5-piperidin-1-yl-2-(2-propan-2-yl-3-pyridinyl)indol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 156736843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).