N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C19H28N4O3 — CID 133267370

About N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 133267370) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
• PubChem CID: 133267370
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
• SMILES: COC[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2C)[C@H]2CCO[C@H]21
• InChI: InChI=1S/C19H28N4O3/c1-12-14(10-20-19(21-12)23-7-4-3-5-8-23)18(24)22-16-13-6-9-26-17(13)15(16)11-25-2/h10,13,15-17H,3-9,11H2,1-2H3,(H,22,24)/t13-,15+,16+,17-/m1/s1
• InChIKey: ZJMPAYGFRYIARX-BSWAZPDLSA-N
• XLogP: 1.56
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?

The IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 133267370) is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?

The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is COC[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2C)[C@H]2CCO[C@H]21.

What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?

The InChIKey is ZJMPAYGFRYIARX-BSWAZPDLSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12-14(10-20-19(21-12)23-7-4-3-5-8-23)18(24)22-16-13-6-9-26-17(13)15(16)11-25-2/h10,13,15-17H,3-9,11H2,1-2H3,(H,22,24)/t13-,15+,16+,17-/m1/s1.

What are the key properties of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?

N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 133267370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).