1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone

C20H29N3O2 — CID 172891020

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone (PubChem CID 172891020) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone
• PubChem CID: 172891020
• Molecular Formula: C20H29N3O2
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.23
• IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone
• SMILES: COc1cccnc1N1CCC(CC(=O)N2CC3CCCC3C2)CC1
• InChI: InChI=1S/C20H29N3O2/c1-25-18-6-3-9-21-20(18)22-10-7-15(8-11-22)12-19(24)23-13-16-4-2-5-17(16)14-23/h3,6,9,15-17H,2,4-5,7-8,10-14H2,1H3
• InChIKey: MUYPTSLDEIAONE-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.47
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone?

The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone (CID 172891020) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone.

What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone?

The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone is COc1cccnc1N1CCC(CC(=O)N2CC3CCCC3C2)CC1.

What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone?

The InChIKey is MUYPTSLDEIAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-18-6-3-9-21-20(18)22-10-7-15(8-11-22)12-19(24)23-13-16-4-2-5-17(16)14-23/h3,6,9,15-17H,2,4-5,7-8,10-14H2,1H3.

What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone?

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 172891020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).