4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

C₂₃H₃₂N₆O₃S — CID 38819154

About 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (PubChem CID 38819154) has the molecular formula C₂₃H₃₂N₆O₃S and a molecular weight of 472.62 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
• PubChem CID: 38819154
• Molecular Formula: C₂₃H₃₂N₆O₃S
• Molecular Weight: 472.62 g/mol
• Exact Mass: 472.23
• IUPAC Name: 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
• SMILES: O=C(NCCNc1cnccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
• InChI: InChI=1S/C23H32N6O3S/c30-23(27-12-11-26-22-18-24-9-10-25-22)19-7-8-20(28-13-3-1-4-14-28)21(17-19)33(31,32)29-15-5-2-6-16-29/h7-10,17-18H,1-6,11-16H2,(H,25,26)(H,27,30)
• InChIKey: ZXRZAKQPGZTDIN-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 107.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.62
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?

The IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (CID 38819154) is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.

What is the SMILES notation for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?

The canonical SMILES for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is O=C(NCCNc1cnccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.

What is the InChIKey of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?

The InChIKey is ZXRZAKQPGZTDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c30-23(27-12-11-26-22-18-24-9-10-25-22)19-7-8-20(28-13-3-1-4-14-28)21(17-19)33(31,32)29-15-5-2-6-16-29/h7-10,17-18H,1-6,11-16H2,(H,25,26)(H,27,30).

What are the key properties of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide has a molecular weight of 472.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 38819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 38819154 — identifiers, structure, computed properties (public domain)

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