[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C17H23N3O3 — CID 96580607

IUPAC[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)o1
InChIInChI=1S/C17H23N3O3/c1-13-18-7-9-19(13)10-14-4-3-8-20(11-14)17(21)16-6-5-15(23-16)12-22-2/h5-7,9,14H,3-4,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyKFAUOIYEDGXZNA-AWEZNQCLSA-N
MW317.39 g/mol
LogP2.48
Rot. Bonds5

About [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 96580607) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID96580607
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)o1
InChIInChI=1S/C17H23N3O3/c1-13-18-7-9-19(13)10-14-4-3-8-20(11-14)17(21)16-6-5-15(23-16)12-22-2/h5-7,9,14H,3-4,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyKFAUOIYEDGXZNA-AWEZNQCLSA-N
XLogP2.48
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56909287
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
[4-(2-aminoethoxy)-3-methoxyphenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 118768638
[3-(2-aminoethoxy)-4-methoxyphenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 118781199
[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841956
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 96571291
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95896526

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 96580607) is [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is KFAUOIYEDGXZNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-18-7-9-19(13)10-14-4-3-8-20(11-14)17(21)16-6-5-15(23-16)12-22-2/h5-7,9,14H,3-4,8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 96580607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).