2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid

C17H22N2O5 — CID 119225453

IUPAC2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-12(17(22)23)18-16(21)13-7-9-19(10-8-13)15(20)11-24-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,18,21)(H,22,23)
InChIKeyIJNIATOLUQUCFB-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.89
Rot. Bonds6

About 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid

2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 119225453) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID119225453
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-12(17(22)23)18-16(21)13-7-9-19(10-8-13)15(20)11-24-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,18,21)(H,22,23)
InChIKeyIJNIATOLUQUCFB-UHFFFAOYSA-N
XLogP0.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid (CID 119225453) is 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid is CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is IJNIATOLUQUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(17(22)23)18-16(21)13-7-9-19(10-8-13)15(20)11-24-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 334.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119225453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).