N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide

C30H46N6O3 — CID 162678232

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide (PubChem CID 162678232) has the molecular formula C30H46N6O3 and a molecular weight of 538.74 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide
• PubChem CID: 162678232
• Molecular Formula: C30H46N6O3
• Molecular Weight: 538.74 g/mol
• Exact Mass: 538.36
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide
• SMILES: CCN(c1c(C)c(C(=O)NCC2C(=O)NC(C)CC2C)cc2c1cnn2C)C1CCN(C2CCOCC2)CC1
• InChI: InChI=1S/C30H46N6O3/c1-6-36(23-7-11-35(12-8-23)22-9-13-39-14-10-22)28-21(4)24(16-27-26(28)18-32-34(27)5)29(37)31-17-25-19(2)15-20(3)33-30(25)38/h16,18-20,22-23,25H,6-15,17H2,1-5H3,(H,31,37)(H,33,38)
• InChIKey: ZXAXCBLTUNEHCL-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.74
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide (CID 162678232) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)NC(C)CC2C)cc2c1cnn2C)C1CCN(C2CCOCC2)CC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide?

The InChIKey is ZXAXCBLTUNEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3/c1-6-36(23-7-11-35(12-8-23)22-9-13-39-14-10-22)28-21(4)24(16-27-26(28)18-32-34(27)5)29(37)31-17-25-19(2)15-20(3)33-30(25)38/h16,18-20,22-23,25H,6-15,17H2,1-5H3,(H,31,37)(H,33,38).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide?

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 538.74 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 162678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).