1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide

C18H27N7O3 — CID 73259540

About 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide

1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide (PubChem CID 73259540) has the molecular formula C18H27N7O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 73259540
• Molecular Formula: C18H27N7O3
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.22
• IUPAC Name: 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide
• SMILES: CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCC(C(N)=O)CC1
• InChI: InChI=1S/C18H27N7O3/c1-11-10-25-13-15(22(2)18(28)21-16(13)27)20-17(25)24(11)7-3-6-23-8-4-12(5-9-23)14(19)26/h10,12-13,15H,3-9H2,1-2H3,(H2,19,26)(H,21,27,28)
• InChIKey: DQKHPDBKFFGSHC-UHFFFAOYSA-N
• XLogP: -0.70
• TPSA: 114.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	-0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide (CID 73259540) is 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCC(C(N)=O)CC1.

What is the InChIKey of 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide?

The InChIKey is DQKHPDBKFFGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O3/c1-11-10-25-13-15(22(2)18(28)21-16(13)27)20-17(25)24(11)7-3-6-23-8-4-12(5-9-23)14(19)26/h10,12-13,15H,3-9H2,1-2H3,(H2,19,26)(H,21,27,28).

What are the key properties of 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide?

1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 73259540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).