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

C18H25N3O2 — CID 95602877

IUPAC(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1cc([C@H](C)C(=O)N2CCCC[C@@H]2Cn2cccn2)c(C)o1
InChIInChI=1S/C18H25N3O2/c1-13-11-17(15(3)23-13)14(2)18(22)21-10-5-4-7-16(21)12-20-9-6-8-19-20/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1
InChIKeyGYCHFWZHIRAAQL-GOEBONIOSA-N
MW315.42 g/mol
LogP3.28
Rot. Bonds4

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

(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 95602877) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID95602877
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1cc([C@H](C)C(=O)N2CCCC[C@@H]2Cn2cccn2)c(C)o1
InChIInChI=1S/C18H25N3O2/c1-13-11-17(15(3)23-13)14(2)18(22)21-10-5-4-7-16(21)12-20-9-6-8-19-20/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1
InChIKeyGYCHFWZHIRAAQL-GOEBONIOSA-N
XLogP3.28
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95312596
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95978298
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
(2S)-2-methylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603761
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125168358
(2R)-2-(benzimidazol-1-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95602733
3-[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-yl]oxybenzonitrile
CID 95978231
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
(2R)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95603680
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95348972

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 95602877) is (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one is Cc1cc([C@H](C)C(=O)N2CCCC[C@@H]2Cn2cccn2)c(C)o1.
What is the InChIKey of (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GYCHFWZHIRAAQL-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-11-17(15(3)23-13)14(2)18(22)21-10-5-4-7-16(21)12-20-9-6-8-19-20/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95602877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).