9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O — CID 70728366

IUPAC9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(Cc1cncn1C1CCCCC1)CC2
InChIInChI=1S/C20H32N4O/c1-22-15-20(8-7-19(22)25)9-11-23(12-10-20)14-18-13-21-16-24(18)17-5-3-2-4-6-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyLGIFSQFUNGCQJT-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.22
Rot. Bonds3

About 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70728366) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70728366
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(Cc1cncn1C1CCCCC1)CC2
InChIInChI=1S/C20H32N4O/c1-22-15-20(8-7-19(22)25)9-11-23(12-10-20)14-18-13-21-16-24(18)17-5-3-2-4-6-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyLGIFSQFUNGCQJT-UHFFFAOYSA-N
XLogP3.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70728366) is 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(Cc1cncn1C1CCCCC1)CC2.
What is the InChIKey of 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LGIFSQFUNGCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-15-20(8-7-19(22)25)9-11-23(12-10-20)14-18-13-21-16-24(18)17-5-3-2-4-6-17/h13,16-17H,2-12,14-15H2,1H3.
What are the key properties of 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70728366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).