4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C27H38N8O3 — CID 154998868

About 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 154998868) has the molecular formula C27H38N8O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 154998868
• Molecular Formula: C27H38N8O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.31
• IUPAC Name: 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: CC(Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)C(C)(C)N)CC3)nc2=O)cc1)N1CC2(CNC2)C1
• InChI: InChI=1S/C27H38N8O3/c1-19(34-17-27(18-34)15-29-16-27)14-20-4-6-21(7-5-20)35-9-8-22(31-25(35)38)30-24(37)33-12-10-32(11-13-33)23(36)26(2,3)28/h4-9,19,29H,10-18,28H2,1-3H3,(H,30,31,37,38)
• InChIKey: QSOLOAWPLJJRJE-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 128.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 154998868) is 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is CC(Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)C(C)(C)N)CC3)nc2=O)cc1)N1CC2(CNC2)C1.

What is the InChIKey of 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is QSOLOAWPLJJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N8O3/c1-19(34-17-27(18-34)15-29-16-27)14-20-4-6-21(7-5-20)35-9-8-22(31-25(35)38)30-24(37)33-12-10-32(11-13-33)23(36)26(2,3)28/h4-9,19,29H,10-18,28H2,1-3H3,(H,30,31,37,38).

What are the key properties of 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-(2,6-diazaspiro[3.3]heptan-2-yl)propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 154998868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).