2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide

C71H131N13O11S — CID 157183127

About 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide

2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 157183127) has the molecular formula C71H131N13O11S and a molecular weight of 1374.98 g/mol. Its IUPAC name is 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide
• PubChem CID: 157183127
• Molecular Formula: C71H131N13O11S
• Molecular Weight: 1374.98 g/mol
• Exact Mass: 1373.98
• IUPAC Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide
• SMILES: CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCCN(C)CC2)CC1)C(=O)C(C)C.CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(CCCN(C)C)CC2)CC1)C(=O)C(C)C.CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(S(C)(=O)=O)CC2)CC1)C(=O)C(C)C
• InChI: InChI=1S/C26H49N5O3.C23H42N4O3.C22H40N4O5S/c1-20(2)24(32)18-23(26(34)21(3)4)27-25(33)19-30-12-8-22(9-13-30)31-16-14-29(15-17-31)11-7-10-28(5)6;1-17(2)21(28)15-20(23(30)18(3)4)24-22(29)16-26-11-7-19(8-12-26)27-10-6-9-25(5)13-14-27;1-16(2)20(27)14-19(22(29)17(3)4)23-21(28)15-24-8-6-18(7-9-24)25-10-12-26(13-11-25)32(5,30)31/h20-23H,7-19H2,1-6H3,(H,27,33);17-20H,6-16H2,1-5H3,(H,24,29);16-19H,6-15H2,1-5H3,(H,23,28)
• InChIKey: AOUHMJLCUMLNSR-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 256.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1374.98
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide?

The IUPAC name of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide (CID 157183127) is 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide?

The canonical SMILES for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide is CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCCN(C)CC2)CC1)C(=O)C(C)C.CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(CCCN(C)C)CC2)CC1)C(=O)C(C)C.CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(S(C)(=O)=O)CC2)CC1)C(=O)C(C)C.

What is the InChIKey of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide?

The InChIKey is AOUHMJLCUMLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N5O3.C23H42N4O3.C22H40N4O5S/c1-20(2)24(32)18-23(26(34)21(3)4)27-25(33)19-30-12-8-22(9-13-30)31-16-14-29(15-17-31)11-7-10-28(5)6;1-17(2)21(28)15-20(23(30)18(3)4)24-22(29)16-26-11-7-19(8-12-26)27-10-6-9-25(5)13-14-27;1-16(2)20(27)14-19(22(29)17(3)4)23-21(28)15-24-8-6-18(7-9-24)25-10-12-26(13-11-25)32(5,30)31/h20-23H,7-19H2,1-6H3,(H,27,33);17-20H,6-16H2,1-5H3,(H,24,29);16-19H,6-15H2,1-5H3,(H,23,28).

What are the key properties of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide?

2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 1374.98 g/mol, XLogP of 3.11, 32 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]acetamide;N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 157183127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).