3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one

C21H32N2O2 — CID 94029312

About 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 94029312) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
• PubChem CID: 94029312
• Molecular Formula: C21H32N2O2
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.25
• IUPAC Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(CN3CCCC3)CC2)o1
• InChI: InChI=1S/C21H32N2O2/c1-16-14-19(16)20-6-4-18(25-20)5-7-21(24)23-12-8-17(9-13-23)15-22-10-2-3-11-22/h4,6,16-17,19H,2-3,5,7-15H2,1H3/t16-,19+/m1/s1
• InChIKey: MOQFIKUSQNEYLB-APWZRJJASA-N
• XLogP: 3.67
• TPSA: 36.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 94029312) is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(CN3CCCC3)CC2)o1.

What is the InChIKey of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?

The InChIKey is MOQFIKUSQNEYLB-APWZRJJASA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-14-19(16)20-6-4-18(25-20)5-7-21(24)23-12-8-17(9-13-23)15-22-10-2-3-11-22/h4,6,16-17,19H,2-3,5,7-15H2,1H3/t16-,19+/m1/s1.

What are the key properties of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 344.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94029312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).