N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide

C34H45N3O4 — CID 153221313

About N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide

N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 153221313) has the molecular formula C34H45N3O4 and a molecular weight of 559.75 g/mol. Its IUPAC name is N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 153221313
• Molecular Formula: C34H45N3O4
• Molecular Weight: 559.75 g/mol
• Exact Mass: 559.34
• IUPAC Name: N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide
• SMILES: CC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)N(C)C(=O)c1ccno1)C(=O)N1CCC2(C=Cc3ccccc32)CC1
• InChI: InChI=1S/C34H45N3O4/c1-4-24(2)27(32(39)37-20-17-34(18-21-37)16-14-26-12-8-9-13-28(26)34)23-30(38)29(22-25-10-6-5-7-11-25)36(3)33(40)31-15-19-35-41-31/h8-9,12-16,19,24-25,27,29H,4-7,10-11,17-18,20-23H2,1-3H3/t24-,27-,29-/m0/s1
• InChIKey: WNSKDFYGHNBOSK-KMDNEMHUSA-N
• XLogP: 6.29
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.75
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide (CID 153221313) is N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide is CC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)N(C)C(=O)c1ccno1)C(=O)N1CCC2(C=Cc3ccccc32)CC1.

What is the InChIKey of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is WNSKDFYGHNBOSK-KMDNEMHUSA-N. The full InChI is InChI=1S/C34H45N3O4/c1-4-24(2)27(32(39)37-20-17-34(18-21-37)16-14-26-12-8-9-13-28(26)34)23-30(38)29(22-25-10-6-5-7-11-25)36(3)33(40)31-15-19-35-41-31/h8-9,12-16,19,24-25,27,29H,4-7,10-11,17-18,20-23H2,1-3H3/t24-,27-,29-/m0/s1.

What are the key properties of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide?

N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 559.75 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 153221313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).