1-(4-phenylbutanoyl)piperidine-3-carboxylic acid

C16H21NO3 — CID 43119516

IUPAC1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c18-15(10-4-8-13-6-2-1-3-7-13)17-11-5-9-14(12-17)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyQXZIFOFIOQUYKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds5

About 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid

1-(4-phenylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 43119516) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
PubChem CID43119516
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c18-15(10-4-8-13-6-2-1-3-7-13)17-11-5-9-14(12-17)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyQXZIFOFIOQUYKU-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
CID 82486332
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
CID 95382682
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid (CID 43119516) is 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCCc2ccccc2)C1.
What is the InChIKey of 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is QXZIFOFIOQUYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(10-4-8-13-6-2-1-3-7-13)17-11-5-9-14(12-17)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20).
What are the key properties of 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid?
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43119516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).