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

C25H35N7O2 — CID 167383382

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

N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 167383382) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 167383382
• Molecular Formula: C25H35N7O2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.29
• IUPAC Name: N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: CC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)NC1CC2(CC(N)C2)C1
• InChI: InChI=1S/C25H35N7O2/c1-17(28-20-15-25(16-20)13-19(26)14-25)12-18-2-4-21(5-3-18)32-9-6-22(30-24(32)34)29-23(33)31-10-7-27-8-11-31/h2-6,9,17,19-20,27-28H,7-8,10-16,26H2,1H3,(H,29,30,33,34)
• InChIKey: UELXDDMIJYCAEW-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 117.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 167383382) is N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

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

The canonical SMILES for N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is CC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)NC1CC2(CC(N)C2)C1.

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

The InChIKey is UELXDDMIJYCAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-17(28-20-15-25(16-20)13-19(26)14-25)12-18-2-4-21(5-3-18)32-9-6-22(30-24(32)34)29-23(33)31-10-7-27-8-11-31/h2-6,9,17,19-20,27-28H,7-8,10-16,26H2,1H3,(H,29,30,33,34).

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

N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 167383382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).