1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one

C19H27N3O3 — CID 94628029

About 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 94628029) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
• PubChem CID: 94628029
• Molecular Formula: C19H27N3O3
• Molecular Weight: 345.44 g/mol
• Exact Mass: 345.21
• IUPAC Name: 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(N3CCNC3=O)CC2)o1
• InChI: InChI=1S/C19H27N3O3/c1-13-12-16(13)17-4-2-15(25-17)3-5-18(23)21-9-6-14(7-10-21)22-11-8-20-19(22)24/h2,4,13-14,16H,3,5-12H2,1H3,(H,20,24)/t13-,16+/m1/s1
• InChIKey: BETBWQKDDAFEFA-CJNGLKHVSA-N
• XLogP: 2.35
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.44
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one (CID 94628029) is 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one.

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

The canonical SMILES for 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(N3CCNC3=O)CC2)o1.

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

The InChIKey is BETBWQKDDAFEFA-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-12-16(13)17-4-2-15(25-17)3-5-18(23)21-9-6-14(7-10-21)22-11-8-20-19(22)24/h2,4,13-14,16H,3,5-12H2,1H3,(H,20,24)/t13-,16+/m1/s1.

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

1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 94628029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).