9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H28N4O2 — CID 70721177

IUPAC9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCO
InChIInChI=1S/C18H28N4O2/c23-12-11-21-14-18(4-3-17(21)24)5-8-20(9-6-18)13-16-19-7-10-22(16)15-1-2-15/h7,10,15,23H,1-6,8-9,11-14H2
InChIKeyNHAGIITVUHZSGR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.41
Rot. Bonds5

About 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70721177) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70721177
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCO
InChIInChI=1S/C18H28N4O2/c23-12-11-21-14-18(4-3-17(21)24)5-8-20(9-6-18)13-16-19-7-10-22(16)15-1-2-15/h7,10,15,23H,1-6,8-9,11-14H2
InChIKeyNHAGIITVUHZSGR-UHFFFAOYSA-N
XLogP1.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70721177) is 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCO.
What is the InChIKey of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NHAGIITVUHZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-12-11-21-14-18(4-3-17(21)24)5-8-20(9-6-18)13-16-19-7-10-22(16)15-1-2-15/h7,10,15,23H,1-6,8-9,11-14H2.
What are the key properties of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70721177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).