[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone

C21H23N3O2 — CID 95978611

IUPAC[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c1-2-19-22-11-13-24(19)17-9-6-12-23(15-17)21(25)20-18(10-14-26-20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17H,2,6,9,12,15H2,1H3/t17-/m1/s1
InChIKeyJUWWYTDPYYHIST-QGZVFWFLSA-N
MW349.43 g/mol
LogP4.18
Rot. Bonds4

About [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone (PubChem CID 95978611) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
PubChem CID95978611
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c1-2-19-22-11-13-24(19)17-9-6-12-23(15-17)21(25)20-18(10-14-26-20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17H,2,6,9,12,15H2,1H3/t17-/m1/s1
InChIKeyJUWWYTDPYYHIST-QGZVFWFLSA-N
XLogP4.18
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 95341170
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95978583
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95978581
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606570
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 129448843
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone (CID 95978611) is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone is CCc1nccn1[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1.
What is the InChIKey of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The InChIKey is JUWWYTDPYYHIST-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-19-22-11-13-24(19)17-9-6-12-23(15-17)21(25)20-18(10-14-26-20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17H,2,6,9,12,15H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone is sourced from PubChem (CID 95978611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).