1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid

C16H21NO4 — CID 43092200

IUPAC1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-14(21-12-8-4-3-5-9-12)15(18)17-11-7-6-10-13(17)16(19)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyHEQGUBBNJZZCGX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds5

About 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid

1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid (PubChem CID 43092200) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
PubChem CID43092200
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-14(21-12-8-4-3-5-9-12)15(18)17-11-7-6-10-13(17)16(19)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyHEQGUBBNJZZCGX-UHFFFAOYSA-N
XLogP2.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]-2-phenoxybutan-1-one
CID 42891022
(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
CID 61152823
1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
CID 120684614
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid (CID 43092200) is 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid is CCC(Oc1ccccc1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid?
The InChIKey is HEQGUBBNJZZCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-14(21-12-8-4-3-5-9-12)15(18)17-11-7-6-10-13(17)16(19)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid?
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43092200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).