N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen

C30H54N6O2 — CID 155740833

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

N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen (PubChem CID 155740833) has the molecular formula C30H54N6O2 and a molecular weight of 530.80 g/mol. Its IUPAC name is N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen
• PubChem CID: 155740833
• Molecular Formula: C30H54N6O2
• Molecular Weight: 530.80 g/mol
• Exact Mass: 530.43
• IUPAC Name: N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen
• SMILES: CCN1CC2CCC(C1)N2c1ncc(C2CCN(CCCCCCCCNC(=O)COC(C)C)CC2)cn1.[H][H]
• InChI: InChI=1S/C30H52N6O2.H2/c1-4-34-21-27-11-12-28(22-34)36(27)30-32-19-26(20-33-30)25-13-17-35(18-14-25)16-10-8-6-5-7-9-15-31-29(37)23-38-24(2)3;/h19-20,24-25,27-28H,4-18,21-23H2,1-3H3,(H,31,37);1H
• InChIKey: MDJWYLRJQZPNRS-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.80
LogP ≤ 5	4.46
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 N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen?

The IUPAC name of N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen (CID 155740833) is N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen.

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

The canonical SMILES for N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen is CCN1CC2CCC(C1)N2c1ncc(C2CCN(CCCCCCCCNC(=O)COC(C)C)CC2)cn1.[H][H].

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

The InChIKey is MDJWYLRJQZPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N6O2.H2/c1-4-34-21-27-11-12-28(22-34)36(27)30-32-19-26(20-33-30)25-13-17-35(18-14-25)16-10-8-6-5-7-9-15-31-29(37)23-38-24(2)3;/h19-20,24-25,27-28H,4-18,21-23H2,1-3H3,(H,31,37);1H.

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

N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen has a molecular weight of 530.80 g/mol, XLogP of 4.46, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[4-[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]octyl]-2-propan-2-yloxyacetamide;molecular hydrogen is sourced from PubChem (CID 155740833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).