1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C29H46N4O5S — CID 70681279

About 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 70681279) has the molecular formula C29H46N4O5S and a molecular weight of 562.78 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
• PubChem CID: 70681279
• Molecular Formula: C29H46N4O5S
• Molecular Weight: 562.78 g/mol
• Exact Mass: 562.32
• IUPAC Name: 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
• SMILES: CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(NS(C)(=O)=O)CC1
• InChI: InChI=1S/C29H46N4O5S/c1-29(2,28(36)32-17-15-23(16-18-32)31-39(3,37)38)30-26(34)24-19-22-13-9-4-5-10-14-25(22)33(27(24)35)20-21-11-7-6-8-12-21/h19,21,23,31H,4-18,20H2,1-3H3,(H,30,34)
• InChIKey: ALTHSRSODSFAFQ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 117.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.78
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The IUPAC name of 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 70681279) is 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

What is the SMILES notation for 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The canonical SMILES for 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(NS(C)(=O)=O)CC1.

What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The InChIKey is ALTHSRSODSFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O5S/c1-29(2,28(36)32-17-15-23(16-18-32)31-39(3,37)38)30-26(34)24-19-22-13-9-4-5-10-14-25(22)33(27(24)35)20-21-11-7-6-8-12-21/h19,21,23,31H,4-18,20H2,1-3H3,(H,30,34).

What are the key properties of 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 562.78 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-N-[1-[4-(methanesulfonamido)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 70681279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).