2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide

C30H36ClN3O3 — CID 134188984

About 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide

2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide (PubChem CID 134188984) has the molecular formula C30H36ClN3O3 and a molecular weight of 522.09 g/mol. Its IUPAC name is 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide
• PubChem CID: 134188984
• Molecular Formula: C30H36ClN3O3
• Molecular Weight: 522.09 g/mol
• Exact Mass: 521.24
• IUPAC Name: 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide
• SMILES: Cc1cc2c(cc1C(=O)NCCN1CCOCC1)=CC(CC1CCN(C(=O)c3ccc(Cl)cc3)CC1)C=2
• InChI: InChI=1S/C30H36ClN3O3/c1-21-16-25-18-23(17-22-6-9-34(10-7-22)30(36)24-2-4-27(31)5-3-24)19-26(25)20-28(21)29(35)32-8-11-33-12-14-37-15-13-33/h2-5,16,18-20,22-23H,6-15,17H2,1H3,(H,32,35)
• InChIKey: JFBFRIHAQITSRT-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.09
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide?

The IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide (CID 134188984) is 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide.

What is the SMILES notation for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide?

The canonical SMILES for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide is Cc1cc2c(cc1C(=O)NCCN1CCOCC1)=CC(CC1CCN(C(=O)c3ccc(Cl)cc3)CC1)C=2.

What is the InChIKey of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide?

The InChIKey is JFBFRIHAQITSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O3/c1-21-16-25-18-23(17-22-6-9-34(10-7-22)30(36)24-2-4-27(31)5-3-24)19-26(25)20-28(21)29(35)32-8-11-33-12-14-37-15-13-33/h2-5,16,18-20,22-23H,6-15,17H2,1H3,(H,32,35).

What are the key properties of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide?

2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide has a molecular weight of 522.09 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-6-methyl-N-(2-morpholin-4-ylethyl)-2H-indene-5-carboxamide is sourced from PubChem (CID 134188984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).