1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

C18H26N2O4 — CID 122001774

IUPAC1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccccc1OCCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H26N2O4/c1-13(2)15-7-3-4-8-16(15)24-11-9-19-18(23)20-10-5-6-14(12-20)17(21)22/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFBKVTBNUVADNQQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122001774) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122001774
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccccc1OCCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H26N2O4/c1-13(2)15-7-3-4-8-16(15)24-11-9-19-18(23)20-10-5-6-14(12-20)17(21)22/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFBKVTBNUVADNQQ-UHFFFAOYSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-3-carboxamide
CID 133165365
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122001774) is 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is CC(C)c1ccccc1OCCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FBKVTBNUVADNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)15-7-3-4-8-16(15)24-11-9-19-18(23)20-10-5-6-14(12-20)17(21)22/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).