1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one

C19H27N3O2 — CID 71926194

IUPAC1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCCc1ccc(C2CC(C)CCN2C(=O)CCCn2ccnc2)o1
InChIInChI=1S/C19H27N3O2/c1-3-16-6-7-18(24-16)17-13-15(2)8-11-22(17)19(23)5-4-10-21-12-9-20-14-21/h6-7,9,12,14-15,17H,3-5,8,10-11,13H2,1-2H3
InChIKeyAEEKSRVODCIVEU-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.82
Rot. Bonds6

About 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one

1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one (PubChem CID 71926194) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one
PubChem CID71926194
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCCc1ccc(C2CC(C)CCN2C(=O)CCCn2ccnc2)o1
InChIInChI=1S/C19H27N3O2/c1-3-16-6-7-18(24-16)17-13-15(2)8-11-22(17)19(23)5-4-10-21-12-9-20-14-21/h6-7,9,12,14-15,17H,3-5,8,10-11,13H2,1-2H3
InChIKeyAEEKSRVODCIVEU-UHFFFAOYSA-N
XLogP3.82
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 97059346
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 71993139
1-[2-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129470143
1-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 138038114
(2S)-1-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129378101
2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 97059361
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166411128
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
1-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-imidazol-1-ylbutan-1-one
CID 124744308
2-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitropyridine
CID 96996561
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one (CID 71926194) is 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one is CCc1ccc(C2CC(C)CCN2C(=O)CCCn2ccnc2)o1.
What is the InChIKey of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The InChIKey is AEEKSRVODCIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-16-6-7-18(24-16)17-13-15(2)8-11-22(17)19(23)5-4-10-21-12-9-20-14-21/h6-7,9,12,14-15,17H,3-5,8,10-11,13H2,1-2H3.
What are the key properties of 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one?
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one has a molecular weight of 329.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 71926194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).