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

C32H52N4O5S — CID 140591639

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

N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 140591639) has the molecular formula C32H52N4O5S and a molecular weight of 604.86 g/mol. Its IUPAC name is N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
• PubChem CID: 140591639
• Molecular Formula: C32H52N4O5S
• Molecular Weight: 604.86 g/mol
• Exact Mass: 604.37
• IUPAC Name: N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-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(=O)(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C32H52N4O5S/c1-31(2,3)42(40,41)34-25-17-19-35(20-18-25)30(39)32(4,5)33-28(37)26-21-24-15-11-6-7-12-16-27(24)36(29(26)38)22-23-13-9-8-10-14-23/h21,23,25,34H,6-20,22H2,1-5H3,(H,33,37)
• InChIKey: KYTIELITZPUXQM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 117.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.86
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 140591639) is N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

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

The canonical SMILES for N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-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(=O)(=O)C(C)(C)C)CC1.

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

The InChIKey is KYTIELITZPUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N4O5S/c1-31(2,3)42(40,41)34-25-17-19-35(20-18-25)30(39)32(4,5)33-28(37)26-21-24-15-11-6-7-12-16-27(24)36(29(26)38)22-23-13-9-8-10-14-23/h21,23,25,34H,6-20,22H2,1-5H3,(H,33,37).

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

N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 604.86 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(tert-butylsulfonylamino)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 140591639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).