[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C17H18ClNO4 — CID 56888923

IUPAC[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(O)(CO)C1
InChIInChI=1S/C17H18ClNO4/c18-13-5-2-1-4-12(13)14-6-7-15(23-14)16(21)19-9-3-8-17(22,10-19)11-20/h1-2,4-7,20,22H,3,8-11H2
InChIKeyBVARSLWEYVPTOD-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.56
Rot. Bonds3

About [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56888923) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56888923
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(O)(CO)C1
InChIInChI=1S/C17H18ClNO4/c18-13-5-2-1-4-12(13)14-6-7-15(23-14)16(21)19-9-3-8-17(22,10-19)11-20/h1-2,4-7,20,22H,3,8-11H2
InChIKeyBVARSLWEYVPTOD-UHFFFAOYSA-N
XLogP2.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154801117
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 56888923) is [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(O)(CO)C1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BVARSLWEYVPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c18-13-5-2-1-4-12(13)14-6-7-15(23-14)16(21)19-9-3-8-17(22,10-19)11-20/h1-2,4-7,20,22H,3,8-11H2.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 335.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56888923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).