3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

C27H33N3O4 — CID 93199113

About 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (PubChem CID 93199113) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
• PubChem CID: 93199113
• Molecular Formula: C27H33N3O4
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.25
• IUPAC Name: 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
• SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3ccccc3C)CC2)c1
• InChI: InChI=1S/C27H33N3O4/c1-19-6-5-8-22(18-19)25(31)28-24(27(33)30-14-16-34-17-15-30)21-10-12-29(13-11-21)26(32)23-9-4-3-7-20(23)2/h3-9,18,21,24H,10-17H2,1-2H3,(H,28,31)/t24-/m1/s1
• InChIKey: LYJMVLMOKLIHNJ-XMMPIXPASA-N
• XLogP: 2.81
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?

The IUPAC name of 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (CID 93199113) is 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?

The canonical SMILES for 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3ccccc3C)CC2)c1.

What is the InChIKey of 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?

The InChIKey is LYJMVLMOKLIHNJ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H33N3O4/c1-19-6-5-8-22(18-19)25(31)28-24(27(33)30-14-16-34-17-15-30)21-10-12-29(13-11-21)26(32)23-9-4-3-7-20(23)2/h3-9,18,21,24H,10-17H2,1-2H3,(H,28,31)/t24-/m1/s1.

What are the key properties of 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?

3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is sourced from PubChem (CID 93199113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).