(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C19H27N3O2 — CID 95294144

IUPAC(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)n1
InChIInChI=1S/C19H27N3O2/c1-12-9-13(2)22(20-12)17-7-6-8-21(11-17)19(23)15(4)18-10-14(3)24-16(18)5/h9-10,15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1
InChIKeyWETDGWDBXTWBSD-NVXWUHKLSA-N
MW329.44 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one

(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95294144) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95294144
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)n1
InChIInChI=1S/C19H27N3O2/c1-12-9-13(2)22(20-12)17-7-6-8-21(11-17)19(23)15(4)18-10-14(3)24-16(18)5/h9-10,15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1
InChIKeyWETDGWDBXTWBSD-NVXWUHKLSA-N
XLogP3.68
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734189
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
CID 95737408
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1-[(2S)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340542
1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340544
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95737246
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95348926
1-[(4S)-4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95290454
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 95351896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 95294144) is (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)n1.
What is the InChIKey of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is WETDGWDBXTWBSD-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-9-13(2)22(20-12)17-7-6-8-21(11-17)19(23)15(4)18-10-14(3)24-16(18)5/h9-10,15,17H,6-8,11H2,1-5H3/t15-,17-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95294144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).