1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C24H27N5O5 — CID 55700993

About 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700993) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55700993
• Molecular Formula: C24H27N5O5
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.20
• IUPAC Name: 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cn2)C1
• InChI: InChI=1S/C24H27N5O5/c25-23(31)15-2-1-7-28(13-15)21-6-3-17(12-26-21)27-24(32)16-10-22(30)29(14-16)18-4-5-19-20(11-18)34-9-8-33-19/h3-6,11-12,15-16H,1-2,7-10,13-14H2,(H2,25,31)(H,27,32)
• InChIKey: ZILCRRUQUPSGQN-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 127.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700993) is 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cn2)C1.

What is the InChIKey of 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is ZILCRRUQUPSGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c25-23(31)15-2-1-7-28(13-15)21-6-3-17(12-26-21)27-24(32)16-10-22(30)29(14-16)18-4-5-19-20(11-18)34-9-8-33-19/h3-6,11-12,15-16H,1-2,7-10,13-14H2,(H2,25,31)(H,27,32).

What are the key properties of 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).