(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C22H28N4O2 — CID 97148687

About (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97148687) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97148687
• Molecular Formula: C22H28N4O2
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.22
• IUPAC Name: (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc3cccc(C)c3n2C)C1
• InChI: InChI=1S/C22H28N4O2/c1-16-6-4-7-17-14-19(24(2)20(16)17)22(27)26-10-5-8-18(15-26)21-23-9-11-25(21)12-13-28-3/h4,6-7,9,11,14,18H,5,8,10,12-13,15H2,1-3H3/t18-/m0/s1
• InChIKey: AYNQHNLJGXOBAH-SFHVURJKSA-N
• XLogP: 3.35
• TPSA: 52.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97148687) is (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc3cccc(C)c3n2C)C1.

What is the InChIKey of (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is AYNQHNLJGXOBAH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-4-7-17-14-19(24(2)20(16)17)22(27)26-10-5-8-18(15-26)21-23-9-11-25(21)12-13-28-3/h4,6-7,9,11,14,18H,5,8,10,12-13,15H2,1-3H3/t18-/m0/s1.

What are the key properties of (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97148687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).