(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone

C15H24N4O — CID 95042801

IUPAC(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone
SMILESCN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C15H24N4O/c1-17-8-5-15(6-9-17)4-3-7-19(11-15)14(20)13-10-16-12-18(13)2/h10,12H,3-9,11H2,1-2H3
InChIKeyWGAGEEWMNKFPTJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.37
Rot. Bonds1

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

(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 95042801) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID95042801
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone
SMILESCN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C15H24N4O/c1-17-8-5-15(6-9-17)4-3-7-19(11-15)14(20)13-10-16-12-18(13)2/h10,12H,3-9,11H2,1-2H3
InChIKeyWGAGEEWMNKFPTJ-UHFFFAOYSA-N
XLogP1.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3235077
US10858362, Example 7
CID 122652273
US10858362, Example 8
CID 122652314
US10858362, Example 85
CID 122652381
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53602141
(3-Aminopyrazin-2-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53611364
[6-(2,9-Diazaspiro[4.5]decan-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56752138
3-[6-(Pyrrolidin-1-ylcarbonyl)pyrazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 56879099
(3S*,4R*)-N,N-dimethyl-1-[6-(4-morpholinylcarbonyl)-2-pyrazinyl]-4-propyl-3-pyrrolidinamine
CID 70710281
rel-(3R,4S)-N,N-dimethyl-1-[6-(1-piperidinylcarbonyl)-2-pyrazinyl]-4-propyl-3-pyrrolidinamine hydrochloride
CID 72840537
6-[rel-(3R,4S)-3-(dimethylamino)-4-propyl-1-pyrrolidinyl]-N,N-dimethyl-2-pyrazinecarboxamide hydrochloride
CID 72842931

Frequently Asked Questions

What is the IUPAC name of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone (CID 95042801) is (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone is CN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1.
What is the InChIKey of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is WGAGEEWMNKFPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-8-5-15(6-9-17)4-3-7-19(11-15)14(20)13-10-16-12-18(13)2/h10,12H,3-9,11H2,1-2H3.
What are the key properties of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone?
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 95042801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).