7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C21H32N4O — CID 131672355

IUPAC7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1cnc(C2CN(C3CCC3)CC23CCN(CC2CC2)C3=O)c1
InChIInChI=1S/C21H32N4O/c1-15(2)25-12-19(22-14-25)18-11-24(17-4-3-5-17)13-21(18)8-9-23(20(21)26)10-16-6-7-16/h12,14-18H,3-11,13H2,1-2H3
InChIKeyIAMHDMGPRYUSLX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.04
Rot. Bonds5

About 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672355) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131672355
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1cnc(C2CN(C3CCC3)CC23CCN(CC2CC2)C3=O)c1
InChIInChI=1S/C21H32N4O/c1-15(2)25-12-19(22-14-25)18-11-24(17-4-3-5-17)13-21(18)8-9-23(20(21)26)10-16-6-7-16/h12,14-18H,3-11,13H2,1-2H3
InChIKeyIAMHDMGPRYUSLX-UHFFFAOYSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131672355) is 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1cnc(C2CN(C3CCC3)CC23CCN(CC2CC2)C3=O)c1.
What is the InChIKey of 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is IAMHDMGPRYUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-15(2)25-12-19(22-14-25)18-11-24(17-4-3-5-17)13-21(18)8-9-23(20(21)26)10-16-6-7-16/h12,14-18H,3-11,13H2,1-2H3.
What are the key properties of 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).