1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid

C15H18ClNO4 — CID 43239854

IUPAC1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-10(21-12-7-5-11(16)6-8-12)14(18)17-9-3-2-4-13(17)15(19)20/h5-8,10,13H,2-4,9H2,1H3,(H,19,20)
InChIKeyPSURVZQREGWUQJ-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid

1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43239854) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID43239854
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-10(21-12-7-5-11(16)6-8-12)14(18)17-9-3-2-4-13(17)15(19)20/h5-8,10,13H,2-4,9H2,1H3,(H,19,20)
InChIKeyPSURVZQREGWUQJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
(2S)-1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 66262701
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid (CID 43239854) is 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid is CC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is PSURVZQREGWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10(21-12-7-5-11(16)6-8-12)14(18)17-9-3-2-4-13(17)15(19)20/h5-8,10,13H,2-4,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid?
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43239854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).