7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one

C18H28N4O — CID 24759750

IUPAC7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCn1ccnc1CN1CCCC12CCN(C1CCCCC1)C2=O
InChIInChI=1S/C18H28N4O/c1-20-13-10-19-16(20)14-21-11-5-8-18(21)9-12-22(17(18)23)15-6-3-2-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyKAHDJAKWUCGNHU-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.32
Rot. Bonds3

About 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one

7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759750) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759750
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCn1ccnc1CN1CCCC12CCN(C1CCCCC1)C2=O
InChIInChI=1S/C18H28N4O/c1-20-13-10-19-16(20)14-21-11-5-8-18(21)9-12-22(17(18)23)15-6-3-2-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyKAHDJAKWUCGNHU-UHFFFAOYSA-N
XLogP2.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 24759750) is 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one is Cn1ccnc1CN1CCCC12CCN(C1CCCCC1)C2=O.
What is the InChIKey of 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is KAHDJAKWUCGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20-13-10-19-16(20)14-21-11-5-8-18(21)9-12-22(17(18)23)15-6-3-2-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3.
What are the key properties of 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 316.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).