[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H23N3O3 — CID 97004398

IUPAC[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c(C)o1
InChIInChI=1S/C17H23N3O3/c1-11-7-16(19-18-11)13-5-4-6-20(9-13)17(21)15-8-14(10-22-3)23-12(15)2/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyBUSJESOZXJXTBC-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.79
Rot. Bonds4

About [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 97004398) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID97004398
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c(C)o1
InChIInChI=1S/C17H23N3O3/c1-11-7-16(19-18-11)13-5-4-6-20(9-13)17(21)15-8-14(10-22-3)23-12(15)2/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyBUSJESOZXJXTBC-ZDUSSCGKSA-N
XLogP2.79
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(methoxymethyl)-2-methylfuran-3-yl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926875
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395
(2,5-dimethylfuran-3-yl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004396
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
1,3-benzodioxol-4-yl-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514469
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004383
N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 166183459
[2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]phenyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 100629382
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-phenylpyrimidin-5-yl)methanone
CID 124855896
[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 97069118

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 97004398) is [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is COCc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c(C)o1.
What is the InChIKey of [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BUSJESOZXJXTBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-16(19-18-11)13-5-4-6-20(9-13)17(21)15-8-14(10-22-3)23-12(15)2/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97004398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).