furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C22H25N3O2 — CID 95122647

IUPACfuran-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H25N3O2/c1-16(2)21-20(17-8-4-3-5-9-17)23-15-25(21)18-10-6-12-24(14-18)22(26)19-11-7-13-27-19/h3-5,7-9,11,13,15-16,18H,6,10,12,14H2,1-2H3/t18-/m0/s1
InChIKeyCGKJXFQLXJJPLO-SFHVURJKSA-N
MW363.46 g/mol
LogP4.74
Rot. Bonds4

About furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95122647) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95122647
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namefuran-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H25N3O2/c1-16(2)21-20(17-8-4-3-5-9-17)23-15-25(21)18-10-6-12-24(14-18)22(26)19-11-7-13-27-19/h3-5,7-9,11,13,15-16,18H,6,10,12,14H2,1-2H3/t18-/m0/s1
InChIKeyCGKJXFQLXJJPLO-SFHVURJKSA-N
XLogP4.74
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone
CID 70752790
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150039

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 95122647) is furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CC(C)c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is CGKJXFQLXJJPLO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)21-20(17-8-4-3-5-9-17)23-15-25(21)18-10-6-12-24(14-18)22(26)19-11-7-13-27-19/h3-5,7-9,11,13,15-16,18H,6,10,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95122647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).