(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C19H23NO3 — CID 38482077

IUPAC(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)o1
InChIInChI=1S/C19H23NO3/c1-2-16-8-9-17(23-16)19(22)20-12-10-15(11-13-20)18(21)14-6-4-3-5-7-14/h3-9,15,18,21H,2,10-13H2,1H3/t18-/m0/s1
InChIKeyVGXVXPADJVQJPV-SFHVURJKSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds4

About (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 38482077) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID38482077
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)o1
InChIInChI=1S/C19H23NO3/c1-2-16-8-9-17(23-16)19(22)20-12-10-15(11-13-20)18(21)14-6-4-3-5-7-14/h3-9,15,18,21H,2,10-13H2,1H3/t18-/m0/s1
InChIKeyVGXVXPADJVQJPV-SFHVURJKSA-N
XLogP3.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110911190
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 55625282
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 110883123

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 38482077) is (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is VGXVXPADJVQJPV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-16-8-9-17(23-16)19(22)20-12-10-15(11-13-20)18(21)14-6-4-3-5-7-14/h3-9,15,18,21H,2,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 38482077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).