3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide

C36H42N2O — CID 11620573

About 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide

3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 11620573) has the molecular formula C36H42N2O and a molecular weight of 518.75 g/mol. Its IUPAC name is 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide
• PubChem CID: 11620573
• Molecular Formula: C36H42N2O
• Molecular Weight: 518.75 g/mol
• Exact Mass: 518.33
• IUPAC Name: 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide
• SMILES: Cc1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1
• InChI: InChI=1S/C36H42N2O/c1-24(2)28-9-7-10-31(21-28)37-35(39)30-13-15-33(25(3)20-30)29-12-14-32(22-29)38-19-18-36(26(4)23-38)17-16-27-8-5-6-11-34(27)36/h5-11,13,15-17,20-21,24,26,29,32H,12,14,18-19,22-23H2,1-4H3,(H,37,39)/t26-,29?,32?,36?/m0/s1
• InChIKey: VJACNIZMLJHVOZ-ROEGLTQKSA-N
• XLogP: 8.31
• 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	518.75
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide?

The IUPAC name of 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide (CID 11620573) is 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide.

What is the SMILES notation for 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide?

The canonical SMILES for 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide is Cc1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1C1CCC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1.

What is the InChIKey of 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide?

The InChIKey is VJACNIZMLJHVOZ-ROEGLTQKSA-N. The full InChI is InChI=1S/C36H42N2O/c1-24(2)28-9-7-10-31(21-28)37-35(39)30-13-15-33(25(3)20-30)29-12-14-32(22-29)38-19-18-36(26(4)23-38)17-16-27-8-5-6-11-34(27)36/h5-11,13,15-17,20-21,24,26,29,32H,12,14,18-19,22-23H2,1-4H3,(H,37,39)/t26-,29?,32?,36?/m0/s1.

What are the key properties of 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide?

3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 518.75 g/mol, XLogP of 8.31, 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'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 11620573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).