1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid

C20H22N2O4 — CID 119907077

IUPAC1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-19(14-22-11-9-15(10-12-22)20(24)25)21-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,21,23)(H,24,25)
InChIKeyRXCWZVJFUUTEED-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

About 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid (PubChem CID 119907077) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
PubChem CID119907077
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-19(14-22-11-9-15(10-12-22)20(24)25)21-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,21,23)(H,24,25)
InChIKeyRXCWZVJFUUTEED-UHFFFAOYSA-N
XLogP3.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
ethyl 1-[2-oxo-2-(3-phenylmethoxyanilino)ethyl]piperidine-4-carboxylate
CID 54837787
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
(3aS,6aR)-2-[2-oxo-2-(3-phenoxyanilino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681354
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 37178939
N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 124861052
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid (CID 119907077) is 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is RXCWZVJFUUTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(14-22-11-9-15(10-12-22)20(24)25)21-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,21,23)(H,24,25).
What are the key properties of 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).