1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid

C21H22N2O5 — CID 119243598

IUPAC1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O5/c24-19(14-28-17-9-2-1-3-10-17)22-16-8-6-7-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,24)(H,26,27)
InChIKeyDUUOODKLCSUNTH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid

1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 119243598) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID119243598
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O5/c24-19(14-28-17-9-2-1-3-10-17)22-16-8-6-7-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,24)(H,26,27)
InChIKeyDUUOODKLCSUNTH-UHFFFAOYSA-N
XLogP2.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 120526867
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243426
1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 120687704
1-[3-[[2-(butanoylamino)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243584
1-[3-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243534
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578
1-[3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243418
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 119243598) is 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is O=C(COc1ccccc1)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is DUUOODKLCSUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19(14-28-17-9-2-1-3-10-17)22-16-8-6-7-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,24)(H,26,27).
What are the key properties of 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).