1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride

C20H23ClN2O3 — CID 119907322

IUPAC1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3.ClH/c23-19(21-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22-13-11-16(12-14-22)20(24)25;/h1-10,16,18H,11-14H2,(H,21,23)(H,24,25);1H
InChIKeyBMABHEVWHBFORC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride

1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119907322) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID119907322
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3.ClH/c23-19(21-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22-13-11-16(12-14-22)20(24)25;/h1-10,16,18H,11-14H2,(H,21,23)(H,24,25);1H
InChIKeyBMABHEVWHBFORC-UHFFFAOYSA-N
XLogP3.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222
1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227219
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride (CID 119907322) is 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(C(C(=O)Nc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is BMABHEVWHBFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.ClH/c23-19(21-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22-13-11-16(12-14-22)20(24)25;/h1-10,16,18H,11-14H2,(H,21,23)(H,24,25);1H.
What are the key properties of 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).