4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid

C26H33N3O3 — CID 22448123

IUPAC4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(Nc2ccccc2)(C(=O)O)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c30-24(27-22-13-11-21(12-14-22)20-7-3-1-4-8-20)19-29-17-15-26(16-18-29,25(31)32)28-23-9-5-2-6-10-23/h2,5-6,9-14,20,28H,1,3-4,7-8,15-19H2,(H,27,30)(H,31,32)
InChIKeyWYONREPGKAVYSO-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.70
Rot. Bonds7

About 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid

4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 22448123) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID22448123
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(Nc2ccccc2)(C(=O)O)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c30-24(27-22-13-11-21(12-14-22)20-7-3-1-4-8-20)19-29-17-15-26(16-18-29,25(31)32)28-23-9-5-2-6-10-23/h2,5-6,9-14,20,28H,1,3-4,7-8,15-19H2,(H,27,30)(H,31,32)
InChIKeyWYONREPGKAVYSO-UHFFFAOYSA-N
XLogP4.70
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 22448137
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-(4-cyclohexylphenyl)benzamide
CID 10333838
1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 91842994
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
CID 53234091
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 22448123) is 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(Nc2ccccc2)(C(=O)O)CC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is WYONREPGKAVYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-24(27-22-13-11-21(12-14-22)20-7-3-1-4-8-20)19-29-17-15-26(16-18-29,25(31)32)28-23-9-5-2-6-10-23/h2,5-6,9-14,20,28H,1,3-4,7-8,15-19H2,(H,27,30)(H,31,32).
What are the key properties of 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 435.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22448123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).