methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate

C34H54N6O4 — CID 25206204

About methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate

methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate (PubChem CID 25206204) has the molecular formula C34H54N6O4 and a molecular weight of 610.84 g/mol. Its IUPAC name is methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 25206204
• Molecular Formula: C34H54N6O4
• Molecular Weight: 610.84 g/mol
• Exact Mass: 610.42
• IUPAC Name: methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate
• SMILES: CCCCC1C(=O)N(CC2CCN(C(=O)OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2
• InChI: InChI=1S/C34H54N6O4/c1-6-7-8-28-30(41)39(23-27-9-16-38(17-10-27)32(43)44-5)20-13-34(28)14-21-40(22-15-34)33(4)11-18-37(19-12-33)31(42)29-25(2)35-24-36-26(29)3/h24,27-28H,6-23H2,1-5H3
• InChIKey: HAUTZEUMSRMIPW-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 99.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.84
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate (CID 25206204) is methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate is CCCCC1C(=O)N(CC2CCN(C(=O)OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2.

What is the InChIKey of methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate?

The InChIKey is HAUTZEUMSRMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N6O4/c1-6-7-8-28-30(41)39(23-27-9-16-38(17-10-27)32(43)44-5)20-13-34(28)14-21-40(22-15-34)33(4)11-18-37(19-12-33)31(42)29-25(2)35-24-36-26(29)3/h24,27-28H,6-23H2,1-5H3.

What are the key properties of methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate?

methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate has a molecular weight of 610.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-4-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 25206204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).