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

C34H45N5O4 — CID 156907488

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

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (PubChem CID 156907488) has the molecular formula C34H45N5O4 and a molecular weight of 587.77 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
• PubChem CID: 156907488
• Molecular Formula: C34H45N5O4
• Molecular Weight: 587.77 g/mol
• Exact Mass: 587.35
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
• SMILES: Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccc(N4CCOCC4)cc3)cn2c1C(C)N1CCOCC1
• InChI: InChI=1S/C34H45N5O4/c1-22-17-23(2)36-34(41)31(22)20-35-33(40)30-19-29-18-27(26-5-7-28(8-6-26)38-11-15-43-16-12-38)21-39(29)32(24(30)3)25(4)37-9-13-42-14-10-37/h5-8,18-19,21-23,25,31H,9-17,20H2,1-4H3,(H,35,40)(H,36,41)
• InChIKey: GACWLJJRNJOFCM-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.77
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (CID 156907488) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccc(N4CCOCC4)cc3)cn2c1C(C)N1CCOCC1.

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

The InChIKey is GACWLJJRNJOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O4/c1-22-17-23(2)36-34(41)31(22)20-35-33(40)30-19-29-18-27(26-5-7-28(8-6-26)38-11-15-43-16-12-38)21-39(29)32(24(30)3)25(4)37-9-13-42-14-10-37/h5-8,18-19,21-23,25,31H,9-17,20H2,1-4H3,(H,35,40)(H,36,41).

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

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide has a molecular weight of 587.77 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).