2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O3 — CID 70723241

IUPAC2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-15-6-8-18(12-22(15)13-4-1-2-5-13)7-3-9-21(11-18)16(24)14-10-19-17(25)20-14/h10,13H,1-9,11-12H2,(H2,19,20,25)
InChIKeyPSXNHHREMOIZRB-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.49
Rot. Bonds2

About 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70723241) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70723241
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-15-6-8-18(12-22(15)13-4-1-2-5-13)7-3-9-21(11-18)16(24)14-10-19-17(25)20-14/h10,13H,1-9,11-12H2,(H2,19,20,25)
InChIKeyPSXNHHREMOIZRB-UHFFFAOYSA-N
XLogP1.49
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70723241) is 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PSXNHHREMOIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-15-6-8-18(12-22(15)13-4-1-2-5-13)7-3-9-21(11-18)16(24)14-10-19-17(25)20-14/h10,13H,1-9,11-12H2,(H2,19,20,25).
What are the key properties of 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70723241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).