2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane

C23H34N4 — CID 45208898

IUPAC2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ncc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)n1C
InChIInChI=1S/C23H34N4/c1-20-24-16-22(25(20)2)17-27-15-12-23(19-27)11-7-14-26(18-23)13-6-10-21-8-4-3-5-9-21/h3-5,8-9,16H,6-7,10-15,17-19H2,1-2H3
InChIKeyDZQXFKAHEOTEAO-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.65
Rot. Bonds6

About 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane

2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45208898) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
PubChem CID45208898
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ncc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)n1C
InChIInChI=1S/C23H34N4/c1-20-24-16-22(25(20)2)17-27-15-12-23(19-27)11-7-14-26(18-23)13-6-10-21-8-4-3-5-9-21/h3-5,8-9,16H,6-7,10-15,17-19H2,1-2H3
InChIKeyDZQXFKAHEOTEAO-UHFFFAOYSA-N
XLogP3.65
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45190723
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
CID 45248581
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane (CID 45208898) is 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane is Cc1ncc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)n1C.
What is the InChIKey of 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is DZQXFKAHEOTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-20-24-16-22(25(20)2)17-27-15-12-23(19-27)11-7-14-26(18-23)13-6-10-21-8-4-3-5-9-21/h3-5,8-9,16H,6-7,10-15,17-19H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 366.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45208898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).