2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C31H38N4O5 — CID 156907487

About 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907487) has the molecular formula C31H38N4O5 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• PubChem CID: 156907487
• Molecular Formula: C31H38N4O5
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.28
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• SMILES: Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccc4c(c3)OCO4)cn2c1C(C)N1CCOCC1
• InChI: InChI=1S/C31H38N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,12-14,16,18-19,21,26H,7-11,15,17H2,1-4H3,(H,32,36)(H,33,37)
• InChIKey: WDJNNNXXLZOFME-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907487) is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccc4c(c3)OCO4)cn2c1C(C)N1CCOCC1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The InChIKey is WDJNNNXXLZOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,12-14,16,18-19,21,26H,7-11,15,17H2,1-4H3,(H,32,36)(H,33,37).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).