3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C20H23N3O2 — CID 124621595

IUPAC3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H23N3O2/c24-20(16-9-6-12-25-14-16)23-11-5-4-10-18(23)19-21-13-17(22-19)15-7-2-1-3-8-15/h1-3,7-8,13-14,18H,4-6,9-12H2,(H,21,22)/t18-/m0/s1
InChIKeyWWYIKEWGEDLKLJ-SFHVURJKSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124621595) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID124621595
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H23N3O2/c24-20(16-9-6-12-25-14-16)23-11-5-4-10-18(23)19-21-13-17(22-19)15-7-2-1-3-8-15/h1-3,7-8,13-14,18H,4-6,9-12H2,(H,21,22)/t18-/m0/s1
InChIKeyWWYIKEWGEDLKLJ-SFHVURJKSA-N
XLogP3.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124621634
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 124621608
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
CID 119037018
(5-chloroisoquinolin-1-yl)-[(2S)-2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 141434979
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
(2S)-2-amino-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 10481113
2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 86818687
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 124621595) is 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(C1=COCCC1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WWYIKEWGEDLKLJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(16-9-6-12-25-14-16)23-11-5-4-10-18(23)19-21-13-17(22-19)15-7-2-1-3-8-15/h1-3,7-8,13-14,18H,4-6,9-12H2,(H,21,22)/t18-/m0/s1.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124621595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).