(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C20H27N5O5 — CID 7682218

About (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 7682218) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• PubChem CID: 7682218
• Molecular Formula: C20H27N5O5
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.20
• IUPAC Name: (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• SMILES: COc1ccc(C(=O)N2CCN(C(=O)CN)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1
• InChI: InChI=1S/C20H27N5O5/c1-30-14-6-4-13(5-7-14)20(29)24-9-10-25(17(26)11-21)16(12-24)19(28)23-15-3-2-8-22-18(15)27/h4-7,15-16H,2-3,8-12,21H2,1H3,(H,22,27)(H,23,28)/t15-,16+/m0/s1
• InChIKey: QPBJHHRNAJJZRY-JKSUJKDBSA-N
• XLogP: -1.30
• TPSA: 134.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	-1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The IUPAC name of (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 7682218) is (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

What is the SMILES notation for (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The canonical SMILES for (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)CN)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1.

What is the InChIKey of (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The InChIKey is QPBJHHRNAJJZRY-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H27N5O5/c1-30-14-6-4-13(5-7-14)20(29)24-9-10-25(17(26)11-21)16(12-24)19(28)23-15-3-2-8-22-18(15)27/h4-7,15-16H,2-3,8-12,21H2,1H3,(H,22,27)(H,23,28)/t15-,16+/m0/s1.

What are the key properties of (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 7682218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).