6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid

C16H21NO3 — CID 114333959

IUPAC6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCCCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c18-15-10-9-14(16(19)20)12-17(15)11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyKZYOQKHIQYNYEL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds6

About 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid

6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid (PubChem CID 114333959) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
PubChem CID114333959
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCCCc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c18-15-10-9-14(16(19)20)12-17(15)11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyKZYOQKHIQYNYEL-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97149069
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
6-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-3-carboxylic acid
CID 116837796
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid (CID 114333959) is 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CCCCc2ccccc2)C1.
What is the InChIKey of 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid?
The InChIKey is KZYOQKHIQYNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15-10-9-14(16(19)20)12-17(15)11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20).
What are the key properties of 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid?
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114333959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).