(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide

C21H28ClN3O4 — CID 95159843

About (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 95159843) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 95159843
• Molecular Formula: C21H28ClN3O4
• Molecular Weight: 421.93 g/mol
• Exact Mass: 421.18
• IUPAC Name: (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
• SMILES: COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCCCC1
• InChI: InChI=1S/C21H28ClN3O4/c1-14(20(27)24-10-4-3-5-11-24)23-19(26)17-7-6-12-25(17)21(28)16-13-15(22)8-9-18(16)29-2/h8-9,13-14,17H,3-7,10-12H2,1-2H3,(H,23,26)/t14-,17-/m1/s1
• InChIKey: AURFICMYTMNMDV-RHSMWYFYSA-N
• XLogP: 2.47
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.93
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide (CID 95159843) is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCCCC1.

What is the InChIKey of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is AURFICMYTMNMDV-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H28ClN3O4/c1-14(20(27)24-10-4-3-5-11-24)23-19(26)17-7-6-12-25(17)21(28)16-13-15(22)8-9-18(16)29-2/h8-9,13-14,17H,3-7,10-12H2,1-2H3,(H,23,26)/t14-,17-/m1/s1.

What are the key properties of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide?

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95159843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).