7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C26H46N4O — CID 147666958

About 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 147666958) has the molecular formula C26H46N4O and a molecular weight of 430.68 g/mol. Its IUPAC name is 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
• PubChem CID: 147666958
• Molecular Formula: C26H46N4O
• Molecular Weight: 430.68 g/mol
• Exact Mass: 430.37
• IUPAC Name: 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
• SMILES: CC1CCCC2CC(C(=O)NC3CCC4CCC(CN5CCN(C)CC5)CC4C3)NC12
• InChI: InChI=1S/C26H46N4O/c1-18-4-3-5-21-16-24(28-25(18)21)26(31)27-23-9-8-20-7-6-19(14-22(20)15-23)17-30-12-10-29(2)11-13-30/h18-25,28H,3-17H2,1-2H3,(H,27,31)
• InChIKey: QZZAWFUQLKBBAR-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 47.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.68
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?

The IUPAC name of 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 147666958) is 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

What is the SMILES notation for 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?

The canonical SMILES for 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)NC3CCC4CCC(CN5CCN(C)CC5)CC4C3)NC12.

What is the InChIKey of 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?

The InChIKey is QZZAWFUQLKBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4O/c1-18-4-3-5-21-16-24(28-25(18)21)26(31)27-23-9-8-20-7-6-19(14-22(20)15-23)17-30-12-10-29(2)11-13-30/h18-25,28H,3-17H2,1-2H3,(H,27,31).

What are the key properties of 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?

7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 430.68 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 147666958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).