2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen

C25H44N6O2 — CID 163401555

About 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen

2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen (PubChem CID 163401555) has the molecular formula C25H44N6O2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen
• PubChem CID: 163401555
• Molecular Formula: C25H44N6O2
• Molecular Weight: 460.67 g/mol
• Exact Mass: 460.35
• IUPAC Name: 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen
• SMILES: CCOCC(=O)NCCCN1CCC(c2cnc(N3C4CCC3CN(C(C)C)C4)nc2)CC1.[H][H]
• InChI: InChI=1S/C25H42N6O2.H2/c1-4-33-18-24(32)26-10-5-11-29-12-8-20(9-13-29)21-14-27-25(28-15-21)31-22-6-7-23(31)17-30(16-22)19(2)3;/h14-15,19-20,22-23H,4-13,16-18H2,1-3H3,(H,26,32);1H
• InChIKey: DDLZGTQIWZRYGD-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.67
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
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 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen?

The IUPAC name of 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen (CID 163401555) is 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen.

What is the SMILES notation for 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen?

The canonical SMILES for 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen is CCOCC(=O)NCCCN1CCC(c2cnc(N3C4CCC3CN(C(C)C)C4)nc2)CC1.[H][H].

What is the InChIKey of 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen?

The InChIKey is DDLZGTQIWZRYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N6O2.H2/c1-4-33-18-24(32)26-10-5-11-29-12-8-20(9-13-29)21-14-27-25(28-15-21)31-22-6-7-23(31)17-30(16-22)19(2)3;/h14-15,19-20,22-23H,4-13,16-18H2,1-3H3,(H,26,32);1H.

What are the key properties of 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen?

2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen has a molecular weight of 460.67 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[3-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]propyl]acetamide;molecular hydrogen is sourced from PubChem (CID 163401555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).