1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid

C16H19NO4 — CID 43355997

IUPAC1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H19NO4/c1-2-11-21-14-9-4-3-7-12(14)15(18)17-10-6-5-8-13(17)16(19)20/h2-4,7,9,13H,1,5-6,8,10-11H2,(H,19,20)
InChIKeyDSHQJDXQTDYMNT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.33
Rot. Bonds5

About 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid

1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 43355997) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID43355997
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H19NO4/c1-2-11-21-14-9-4-3-7-12(14)15(18)17-10-6-5-8-13(17)16(19)20/h2-4,7,9,13H,1,5-6,8,10-11H2,(H,19,20)
InChIKeyDSHQJDXQTDYMNT-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
3-methyl-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 102775190
benzyl (2S)-3-prop-2-enoxy-2-[[(2S)-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 146364898
1-[2-[[2-(2-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-2-carboxylic acid
CID 10346856
1-(2-sulfanylbenzoyl)piperidine-2-carboxylic acid
CID 10422982
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 79034919
1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
CID 113375734
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid (CID 43355997) is 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid is C=CCOc1ccccc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is DSHQJDXQTDYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-11-21-14-9-4-3-7-12(14)15(18)17-10-6-5-8-13(17)16(19)20/h2-4,7,9,13H,1,5-6,8,10-11H2,(H,19,20).
What are the key properties of 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid?
1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43355997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).