(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

C19H25N3O2 — CID 96573519

IUPAC(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1
InChIInChI=1S/C19H25N3O2/c1-2-24-18-8-6-16(7-9-18)19(23)22-12-4-3-5-17(22)10-13-21-14-11-20-15-21/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3/t17-/m1/s1
InChIKeyGVNUZAWGSGLUAG-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.37
Rot. Bonds6

About (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 96573519) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID96573519
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1
InChIInChI=1S/C19H25N3O2/c1-2-24-18-8-6-16(7-9-18)19(23)22-12-4-3-5-17(22)10-13-21-14-11-20-15-21/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3/t17-/m1/s1
InChIKeyGVNUZAWGSGLUAG-QGZVFWFLSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96572781
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
[2-(bromomethyl)azepan-1-yl]-(4-ethoxyphenyl)methanone
CID 116639619
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138810233
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (CID 96573519) is (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is GVNUZAWGSGLUAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-24-18-8-6-16(7-9-18)19(23)22-12-4-3-5-17(22)10-13-21-14-11-20-15-21/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96573519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).