9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C13H20N4O — CID 131655738

IUPAC9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1ccnc1CN1CCCC2(CCNC2=O)C1
InChIInChI=1S/C13H20N4O/c1-16-8-6-14-11(16)9-17-7-2-3-13(10-17)4-5-15-12(13)18/h6,8H,2-5,7,9-10H2,1H3,(H,15,18)
InChIKeyQDDSYKZMMMYYJN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.52
Rot. Bonds2

About 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131655738) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131655738
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1ccnc1CN1CCCC2(CCNC2=O)C1
InChIInChI=1S/C13H20N4O/c1-16-8-6-14-11(16)9-17-7-2-3-13(10-17)4-5-15-12(13)18/h6,8H,2-5,7,9-10H2,1H3,(H,15,18)
InChIKeyQDDSYKZMMMYYJN-UHFFFAOYSA-N
XLogP0.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931
1'-[(1-methylimidazol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 97452734
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26394459
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171533329
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984536

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131655738) is 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cn1ccnc1CN1CCCC2(CCNC2=O)C1.
What is the InChIKey of 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is QDDSYKZMMMYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-8-6-14-11(16)9-17-7-2-3-13(10-17)4-5-15-12(13)18/h6,8H,2-5,7,9-10H2,1H3,(H,15,18).
What are the key properties of 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131655738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).