2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide

C19H26N4O2 — CID 75470838

IUPAC2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C19H26N4O2/c1-22(2)18(24)14-25-17-9-4-3-7-15(17)13-23-12-6-5-8-16(23)19-20-10-11-21-19/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,21)
InChIKeyACULHDUFZNAFLF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide

2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 75470838) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID75470838
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C19H26N4O2/c1-22(2)18(24)14-25-17-9-4-3-7-15(17)13-23-12-6-5-8-16(23)19-20-10-11-21-19/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,21)
InChIKeyACULHDUFZNAFLF-UHFFFAOYSA-N
XLogP2.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 167929652
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 71968465
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
2-[2-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125000713
5-[(2-ethoxyphenyl)methyl]-4-phenyl-1,5-diazecan-2-one
CID 110200141
4-(2-chlorophenoxy)-1-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97255879
2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
CID 97098881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide (CID 75470838) is 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccccc1CN1CCCCC1c1ncc[nH]1.
What is the InChIKey of 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is ACULHDUFZNAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)18(24)14-25-17-9-4-3-7-15(17)13-23-12-6-5-8-16(23)19-20-10-11-21-19/h3-4,7,9-11,16H,5-6,8,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 75470838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).