N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane

C36H50N2O — CID 143159408

About N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane

N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane (PubChem CID 143159408) has the molecular formula C36H50N2O and a molecular weight of 526.81 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane
• PubChem CID: 143159408
• Molecular Formula: C36H50N2O
• Molecular Weight: 526.81 g/mol
• Exact Mass: 526.39
• IUPAC Name: N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane
• SMILES: CC.Cc1cc(C(=O)NCC2CCCCC2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)C(C)C2)C1
• InChI: InChI=1S/C34H44N2O.C2H6/c1-24-20-29(33(37)35-22-26-8-4-3-5-9-26)13-15-31(24)28-12-14-30(21-28)36-19-18-34(25(2)23-36)17-16-27-10-6-7-11-32(27)34;1-2/h6-7,10-11,13,15-17,20,25-26,28,30H,3-5,8-9,12,14,18-19,21-23H2,1-2H3,(H,35,37);1-2H3
• InChIKey: VYDCPBQNMSZPMP-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.81
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane?

The IUPAC name of N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane (CID 143159408) is N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane.

What is the SMILES notation for N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane?

The canonical SMILES for N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane is CC.Cc1cc(C(=O)NCC2CCCCC2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)C(C)C2)C1.

What is the InChIKey of N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane?

The InChIKey is VYDCPBQNMSZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O.C2H6/c1-24-20-29(33(37)35-22-26-8-4-3-5-9-26)13-15-31(24)28-12-14-30(21-28)36-19-18-34(25(2)23-36)17-16-27-10-6-7-11-32(27)34;1-2/h6-7,10-11,13,15-17,20,25-26,28,30H,3-5,8-9,12,14,18-19,21-23H2,1-2H3,(H,35,37);1-2H3.

What are the key properties of N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane?

N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane has a molecular weight of 526.81 g/mol, XLogP of 8.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane is sourced from PubChem (CID 143159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).