N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane

C45H61Cl2IN10O4 — CID 162227578

About N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane

N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane (PubChem CID 162227578) has the molecular formula C45H61Cl2IN10O4 and a molecular weight of 1003.86 g/mol. Its IUPAC name is N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane.

Molecular Properties

• Compound Name: N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
• PubChem CID: 162227578
• Molecular Formula: C45H61Cl2IN10O4
• Molecular Weight: 1003.86 g/mol
• Exact Mass: 1002.33
• IUPAC Name: N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
• SMILES: C.CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccccc4Cl)C3)CC2)c1.CC(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccccc4Cl)C3)CC2)c1.CI
• InChI: InChI=1S/C22H28ClN5O2.C21H26ClN5O2.CH3I.CH4/c1-17(29)25(2)19-13-24-28(15-19)21(30)27-11-8-22(9-12-27)7-10-26(16-22)14-18-5-3-4-6-20(18)23;1-16(28)24-18-12-23-27(14-18)20(29)26-10-7-21(8-11-26)6-9-25(15-21)13-17-4-2-3-5-19(17)22;1-2;/h3-6,13,15H,7-12,14,16H2,1-2H3;2-5,12,14H,6-11,13,15H2,1H3,(H,24,28);1H3;1H4
• InChIKey: ZUYRURPUARCBBN-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 132.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.86
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane?

The IUPAC name of N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane (CID 162227578) is N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane.

What is the SMILES notation for N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane?

The canonical SMILES for N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane is C.CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccccc4Cl)C3)CC2)c1.CC(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccccc4Cl)C3)CC2)c1.CI.

What is the InChIKey of N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane?

The InChIKey is ZUYRURPUARCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2.C21H26ClN5O2.CH3I.CH4/c1-17(29)25(2)19-13-24-28(15-19)21(30)27-11-8-22(9-12-27)7-10-26(16-22)14-18-5-3-4-6-20(18)23;1-16(28)24-18-12-23-27(14-18)20(29)26-10-7-21(8-11-26)6-9-25(15-21)13-17-4-2-3-5-19(17)22;1-2;/h3-6,13,15H,7-12,14,16H2,1-2H3;2-5,12,14H,6-11,13,15H2,1H3,(H,24,28);1H3;1H4.

What are the key properties of N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane?

N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane has a molecular weight of 1003.86 g/mol, XLogP of 8.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane is sourced from PubChem (CID 162227578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).