3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

C18H28N4O2 — CID 91778198

About 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 91778198) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
• PubChem CID: 91778198
• Molecular Formula: C18H28N4O2
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.22
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
• SMILES: Cn1cc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)cn1
• InChI: InChI=1S/C18H28N4O2/c1-21-12-13(11-19-21)5-6-15(23)20-16-14-7-10-24-18(14)17(16)22-8-3-2-4-9-22/h11-12,14,16-18H,2-10H2,1H3,(H,20,23)/t14-,16+,17-,18-/m1/s1
• InChIKey: VMFHHRQZUOBVII-BZZMCLGOSA-N
• XLogP: 1.11
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?

The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (CID 91778198) is 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?

The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is Cn1cc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)cn1.

What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?

The InChIKey is VMFHHRQZUOBVII-BZZMCLGOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-12-13(11-19-21)5-6-15(23)20-16-14-7-10-24-18(14)17(16)22-8-3-2-4-9-22/h11-12,14,16-18H,2-10H2,1H3,(H,20,23)/t14-,16+,17-,18-/m1/s1.

What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?

3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 91778198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).