(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

C20H24FNO3 — CID 24816690

IUPAC(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(CO)(Cc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C20H24FNO3/c1-14-10-18(15(2)25-14)19(24)22-9-3-8-20(12-22,13-23)11-16-4-6-17(21)7-5-16/h4-7,10,23H,3,8-9,11-13H2,1-2H3
InChIKeySRGFBXQZEHVHMR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.49
Rot. Bonds4

About (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 24816690) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID24816690
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(CO)(Cc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C20H24FNO3/c1-14-10-18(15(2)25-14)19(24)22-9-3-8-20(12-22,13-23)11-16-4-6-17(21)7-5-16/h4-7,10,23H,3,8-9,11-13H2,1-2H3
InChIKeySRGFBXQZEHVHMR-UHFFFAOYSA-N
XLogP3.49
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
[1-(3-Furoyl)-3-piperidinyl](3-isopropoxyphenyl)methanone
CID 16189901
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
(4-Benzylpiperazin-1-yl)(2-methylfuran-3-yl)methanone
CID 716180
Ethyl 4-(4-methoxybenzyl)-1-(2-methyl-3-furoyl)-4-piperidinecarboxylate
CID 16189694
Ethyl 1-(3-furoyl)-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16190386
Ethyl 1-(3-furoyl)-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16190620
Ethyl 1-(3-furoyl)-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 24790353
Ethyl 1-(2,5-dimethyl-3-furoyl)-3-(3-methoxybenzyl)-3-piperidinecarboxylate
CID 24790509
N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N,2,5-trimethyl-3-furamide
CID 24791021
N-({1-[2-(2-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-furamide
CID 24816837

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 24816690) is (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(CO)(Cc3ccc(F)cc3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SRGFBXQZEHVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14-10-18(15(2)25-14)19(24)22-9-3-8-20(12-22,13-23)11-16-4-6-17(21)7-5-16/h4-7,10,23H,3,8-9,11-13H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24816690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).