[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C22H36N4O2 — CID 126463791

IUPAC[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCCCc1ncc(CN2CCC3(CC2)CC3C(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH]1
InChIInChI=1S/C22H36N4O2/c1-4-5-6-20-23-12-18(24-20)15-25-9-7-22(8-10-25)11-19(22)21(27)26-13-16(2)28-17(3)14-26/h12,16-17,19H,4-11,13-15H2,1-3H3,(H,23,24)/t16-,17+,19?
InChIKeyCRSVFWCYQRREGE-JJTKIYQPSA-N
MW388.56 g/mol
LogP2.99
Rot. Bonds6

About [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 126463791) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID126463791
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCCCc1ncc(CN2CCC3(CC2)CC3C(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH]1
InChIInChI=1S/C22H36N4O2/c1-4-5-6-20-23-12-18(24-20)15-25-9-7-22(8-10-25)11-19(22)21(27)26-13-16(2)28-17(3)14-26/h12,16-17,19H,4-11,13-15H2,1-3H3,(H,23,24)/t16-,17+,19?
InChIKeyCRSVFWCYQRREGE-JJTKIYQPSA-N
XLogP2.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

N-{2-[4-(1H-imidazol-4-ylmethyl)morpholin-2-yl]ethyl}-2,2,3,3-tetramethylcyclopropanecarboxamide
CID 56701904
2-(2-hydroxypropyl)-9-[(1-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72847828
2-(3-Hydroxypropyl)-9-[(4-methyl-1H-imidazol-2-YL)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707317
3-[(3R)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 28357391
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513681
(6S)-8-(2-ethoxyacetyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96580536
(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97121468
9-[(2S)-2-ethoxypropanoyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97134707
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-methoxypropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97149167
cyclopentyl-[(5R)-5-(hydroxymethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97939290
(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105115
6-azaspiro[2.5]octan-2-yl-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 120131737

Frequently Asked Questions

What is the IUPAC name of [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 126463791) is [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is CCCCc1ncc(CN2CCC3(CC2)CC3C(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH]1.
What is the InChIKey of [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is CRSVFWCYQRREGE-JJTKIYQPSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-4-5-6-20-23-12-18(24-20)15-25-9-7-22(8-10-25)11-19(22)21(27)26-13-16(2)28-17(3)14-26/h12,16-17,19H,4-11,13-15H2,1-3H3,(H,23,24)/t16-,17+,19?.
What are the key properties of [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 388.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-butyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 126463791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).