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

C35H40N2O — CID 143159479

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

3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide (PubChem CID 143159479) has the molecular formula C35H40N2O and a molecular weight of 504.72 g/mol. Its IUPAC name is 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide
• PubChem CID: 143159479
• Molecular Formula: C35H40N2O
• Molecular Weight: 504.72 g/mol
• Exact Mass: 504.31
• IUPAC Name: 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide
• SMILES: Cc1cc(C(=O)NC(C)c2ccccc2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)C(C)C2)C1
• InChI: InChI=1S/C35H40N2O/c1-24-21-30(34(38)36-26(3)27-9-5-4-6-10-27)14-16-32(24)29-13-15-31(22-29)37-20-19-35(25(2)23-37)18-17-28-11-7-8-12-33(28)35/h4-12,14,16-18,21,25-26,29,31H,13,15,19-20,22-23H2,1-3H3,(H,36,38)
• InChIKey: IWWDUFVHQARACY-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.72
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide (CID 143159479) is 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide.

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

The canonical SMILES for 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide is Cc1cc(C(=O)NC(C)c2ccccc2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)C(C)C2)C1.

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

The InChIKey is IWWDUFVHQARACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O/c1-24-21-30(34(38)36-26(3)27-9-5-4-6-10-27)14-16-32(24)29-13-15-31(22-29)37-20-19-35(25(2)23-37)18-17-28-11-7-8-12-33(28)35/h4-12,14,16-18,21,25-26,29,31H,13,15,19-20,22-23H2,1-3H3,(H,36,38).

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

3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide has a molecular weight of 504.72 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 143159479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).