5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid

C18H26N2O4 — CID 167768600

IUPAC5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccccc1OCCNC(=O)C1CCC(C(=O)O)NC1
InChIInChI=1S/C18H26N2O4/c1-12(2)14-5-3-4-6-16(14)24-10-9-19-17(21)13-7-8-15(18(22)23)20-11-13/h3-6,12-13,15,20H,7-11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyXZTRQTCHXULTRS-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.76
Rot. Bonds7

About 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid

5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 167768600) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID167768600
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccccc1OCCNC(=O)C1CCC(C(=O)O)NC1
InChIInChI=1S/C18H26N2O4/c1-12(2)14-5-3-4-6-16(14)24-10-9-19-17(21)13-7-8-15(18(22)23)20-11-13/h3-6,12-13,15,20H,7-11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyXZTRQTCHXULTRS-UHFFFAOYSA-N
XLogP1.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001774
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-3-carboxamide
CID 133165247
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
N-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]cyclopropanecarboxamide
CID 115666757
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 167768600) is 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid is CC(C)c1ccccc1OCCNC(=O)C1CCC(C(=O)O)NC1.
What is the InChIKey of 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is XZTRQTCHXULTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)14-5-3-4-6-16(14)24-10-9-19-17(21)13-7-8-15(18(22)23)20-11-13/h3-6,12-13,15,20H,7-11H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid?
5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 167768600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).