N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride

C28H50Cl2N8O3 — CID 69416563

About N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride

N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride (PubChem CID 69416563) has the molecular formula C28H50Cl2N8O3 and a molecular weight of 617.67 g/mol. Its IUPAC name is N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride.

Molecular Properties

• Compound Name: N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride
• PubChem CID: 69416563
• Molecular Formula: C28H50Cl2N8O3
• Molecular Weight: 617.67 g/mol
• Exact Mass: 616.34
• IUPAC Name: N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride
• SMILES: CN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(CC(C)(C)C(N)=O)C(=O)NC2(C#N)CCN(C)CC2)CC1.Cl.Cl
• InChI: InChI=1S/C28H48N8O3.2ClH/c1-25(2,3)16-20(22(37)33-27(18-29)8-12-35(6)13-9-27)32-21(17-26(4,5)24(31)39)23(38)34-28(19-30)10-14-36(7)15-11-28;;/h20-21,32H,8-17H2,1-7H3,(H2,31,39)(H,33,37)(H,34,38);2*1H
• InChIKey: ABQNSFYEGKYLKH-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 167.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.67
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride?

The IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride (CID 69416563) is N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride.

What is the SMILES notation for N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride?

The canonical SMILES for N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride is CN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(CC(C)(C)C(N)=O)C(=O)NC2(C#N)CCN(C)CC2)CC1.Cl.Cl.

What is the InChIKey of N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride?

The InChIKey is ABQNSFYEGKYLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N8O3.2ClH/c1-25(2,3)16-20(22(37)33-27(18-29)8-12-35(6)13-9-27)32-21(17-26(4,5)24(31)39)23(38)34-28(19-30)10-14-36(7)15-11-28;;/h20-21,32H,8-17H2,1-7H3,(H2,31,39)(H,33,37)(H,34,38);2*1H.

What are the key properties of N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride?

N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride has a molecular weight of 617.67 g/mol, XLogP of 1.70, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-cyano-1-methylpiperidin-4-yl)-4-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-2,2-dimethylpentanediamide;dihydrochloride is sourced from PubChem (CID 69416563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).