5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid

C17H23NO3 — CID 4305990

IUPAC5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c19-16(7-4-8-17(20)21)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,21)
InChIKeyLCYXOUYCHKCJKE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.72
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid

5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 4305990) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
PubChem CID4305990
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c19-16(7-4-8-17(20)21)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,21)
InChIKeyLCYXOUYCHKCJKE-UHFFFAOYSA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(4-benzylpiperidin-1-yl)pentane-1,5-dione
CID 66794799
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 86978734
1-(4-benzylpiperidin-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one
CID 3428823
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid (CID 4305990) is 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is LCYXOUYCHKCJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(7-4-8-17(20)21)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,21).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid?
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 4305990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).