(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H32N4O3 — CID 171912358

IUPAC(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C20H32N4O3/c1-15-18(22(2)14-21-15)19(26)23-7-5-20(6-8-23)11-17(25)12-24(13-20)16-3-9-27-10-4-16/h14,16-17,25H,3-13H2,1-2H3
InChIKeyGVCFFOGNOFCCIP-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.20
Rot. Bonds2

About (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 171912358) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID171912358
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C20H32N4O3/c1-15-18(22(2)14-21-15)19(26)23-7-5-20(6-8-23)11-17(25)12-24(13-20)16-3-9-27-10-4-16/h14,16-17,25H,3-13H2,1-2H3
InChIKeyGVCFFOGNOFCCIP-UHFFFAOYSA-N
XLogP1.20
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 171915962
2-(1,3-dimethylpyrazol-4-yl)-1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone;formic acid
CID 172897528
(5-fluoro-2-pyridinyl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 171914263
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 171910424
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 171911330
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
CID 171908847
1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 171906400
1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 171915834
(3,5-dimethylimidazol-4-yl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
CID 118769125
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 171912358) is (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1ncn(C)c1C(=O)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2.
What is the InChIKey of (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is GVCFFOGNOFCCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-18(22(2)14-21-15)19(26)23-7-5-20(6-8-23)11-17(25)12-24(13-20)16-3-9-27-10-4-16/h14,16-17,25H,3-13H2,1-2H3.
What are the key properties of (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 171912358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).