4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid

C15H19NO4 — CID 54003429

IUPAC4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid
SMILESO=C(O)CCC(=O)OC1CCCCN1c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)9-10-15(19)20-13-8-4-5-11-16(13)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)
InChIKeyKNFJBTYRYHFDEM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.41
Rot. Bonds5

About 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid

4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid (PubChem CID 54003429) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid
PubChem CID54003429
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid
SMILESO=C(O)CCC(=O)OC1CCCCN1c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)9-10-15(19)20-13-8-4-5-11-16(13)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)
InChIKeyKNFJBTYRYHFDEM-UHFFFAOYSA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
3-(1-phenylpiperidin-2-yl)oxy-2H-1,3-thiazole
CID 54296783
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
2-cyclohexyl-1-phenylpiperidine
CID 11736671
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid?
The IUPAC name of 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid (CID 54003429) is 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid.
What is the SMILES notation for 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid?
The canonical SMILES for 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid is O=C(O)CCC(=O)OC1CCCCN1c1ccccc1.
What is the InChIKey of 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid?
The InChIKey is KNFJBTYRYHFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)9-10-15(19)20-13-8-4-5-11-16(13)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18).
What are the key properties of 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid?
4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(1-phenylpiperidin-2-yl)oxybutanoic acid is sourced from PubChem (CID 54003429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).