[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C18H23N3O2 — CID 145375199

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)c3cn(C)cn3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-4-5-14(2)17(10-13)23-15-6-8-21(9-7-15)18(22)16-11-20(3)12-19-16/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyWVSWUCNXILVOAV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.72
Rot. Bonds3

About [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 145375199) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID145375199
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)c3cn(C)cn3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-4-5-14(2)17(10-13)23-15-6-8-21(9-7-15)18(22)16-11-20(3)12-19-16/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyWVSWUCNXILVOAV-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methyl-2,3-dihydroindol-6-yl)methanone
CID 75455125
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916386
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881
(2S)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94624231
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 145375199) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cc1ccc(C)c(OC2CCN(C(=O)c3cn(C)cn3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is WVSWUCNXILVOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-4-5-14(2)17(10-13)23-15-6-8-21(9-7-15)18(22)16-11-20(3)12-19-16/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 145375199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).