3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one

C20H25NO4 — CID 91778220

IUPAC3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)c1ccco1)N1CCC(O)(CO)CC1
InChIInChI=1S/C20H25NO4/c22-15-20(24)8-10-21(11-9-20)19(23)14-17(18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,22,24H,8-11,13-15H2
InChIKeyCBWJLJASWXYJMF-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.34
Rot. Bonds6

About 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one

3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 91778220) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID91778220
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)c1ccco1)N1CCC(O)(CO)CC1
InChIInChI=1S/C20H25NO4/c22-15-20(24)8-10-21(11-9-20)19(23)14-17(18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,22,24H,8-11,13-15H2
InChIKeyCBWJLJASWXYJMF-UHFFFAOYSA-N
XLogP2.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
CID 131907306
8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 95895519
(3S)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454260
(3R)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454261
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 77085636
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90651853
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 120809772
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709038

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one (CID 91778220) is 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one is O=C(CC(Cc1ccccc1)c1ccco1)N1CCC(O)(CO)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is CBWJLJASWXYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-15-20(24)8-10-21(11-9-20)19(23)14-17(18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,22,24H,8-11,13-15H2.
What are the key properties of 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one?
3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 343.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 91778220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).