4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

C₁₃H₂₀N₄O₂ — CID 63256452

About 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 63256452) has the molecular formula C₁₃H₂₀N₄O₂ and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
• PubChem CID: 63256452
• Molecular Formula: C₁₃H₂₀N₄O₂
• Molecular Weight: 264.33 g/mol
• Exact Mass: 264.16
• IUPAC Name: 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
• SMILES: O=C(c1c[nH]c(=O)[nH]1)N1CCCCC1C1CCCN1
• InChI: InChI=1S/C13H20N4O2/c18-12(10-8-15-13(19)16-10)17-7-2-1-5-11(17)9-4-3-6-14-9/h8-9,11,14H,1-7H2,(H2,15,16,19)
• InChIKey: AEQNBOSSDZRNHR-UHFFFAOYSA-N
• XLogP: 0.45
• TPSA: 80.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.33
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (CID 63256452) is 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCCC1C1CCCN1.

What is the InChIKey of 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?

The InChIKey is AEQNBOSSDZRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(10-8-15-13(19)16-10)17-7-2-1-5-11(17)9-4-3-6-14-9/h8-9,11,14H,1-7H2,(H2,15,16,19).

What are the key properties of 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?

4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 63256452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63256452 — identifiers, structure, computed properties (public domain)

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