Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen

C₂₁H₄₄N₄O — CID 154670807

About Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen

Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 154670807) has the molecular formula C₂₁H₄₄N₄O and a molecular weight of 368.61 g/mol. Its IUPAC name is ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

• Compound Name: Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen
• PubChem CID: 154670807
• Molecular Formula: C₂₁H₄₄N₄O
• Molecular Weight: 368.61 g/mol
• Exact Mass: 368.35
• IUPAC Name: ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen
• SMILES: CC.CCN1CCN(CCN2CC3CCC(NC(=O)C(C)C)C3C2)CC1.[H][H]
• InChI: InChI=1S/C19H36N4O.C2H6.H2/c1-4-21-7-9-22(10-8-21)11-12-23-13-16-5-6-18(17(16)14-23)20-19(24)15(2)3;1-2;/h15-18H,4-14H2,1-3H3,(H,20,24);1-2H3;1H
• InChIKey: VOKCODRBRJXGHW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.61
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen?

The IUPAC name of Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen (CID 154670807) is ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen.

What is the SMILES notation for Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen?

The canonical SMILES for Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen is CC.CCN1CCN(CCN2CC3CCC(NC(=O)C(C)C)C3C2)CC1.[H][H].

What is the InChIKey of Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen?

The InChIKey is VOKCODRBRJXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C2H6.H2/c1-4-21-7-9-22(10-8-21)11-12-23-13-16-5-6-18(17(16)14-23)20-19(24)15(2)3;1-2;/h15-18H,4-14H2,1-3H3,(H,20,24);1-2H3;1H.

What are the key properties of Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen?

Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 368.61 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 154670807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154670807 — identifiers, structure, computed properties (public domain)

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