(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide

C18H24N6O5 — CID 163158475

About (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide

(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide (PubChem CID 163158475) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
• PubChem CID: 163158475
• Molecular Formula: C18H24N6O5
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.18
• IUPAC Name: (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
• SMILES: COCC(=O)N1CCN(C(=O)c2cncnc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1
• InChI: InChI=1S/C18H24N6O5/c1-29-10-15(25)23-5-6-24(18(28)12-7-19-11-20-8-12)14(9-23)17(27)22-13-3-2-4-21-16(13)26/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,21,26)(H,22,27)/t13-,14-/m1/s1
• InChIKey: QBVLNTKAVSPZLD-ZIAGYGMSSA-N
• XLogP: -1.83
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	-1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide?

The IUPAC name of (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide (CID 163158475) is (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide.

What is the SMILES notation for (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide?

The canonical SMILES for (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide is COCC(=O)N1CCN(C(=O)c2cncnc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1.

What is the InChIKey of (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide?

The InChIKey is QBVLNTKAVSPZLD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-29-10-15(25)23-5-6-24(18(28)12-7-19-11-20-8-12)14(9-23)17(27)22-13-3-2-4-21-16(13)26/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,21,26)(H,22,27)/t13-,14-/m1/s1.

What are the key properties of (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide?

(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of -1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 163158475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).