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

C16H20N2O5 — CID 119243504

IUPAC1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5/c1-23-10-14(19)17-12-6-4-5-11(9-12)15(20)18-8-3-2-7-13(18)16(21)22/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19)(H,21,22)
InChIKeyPZPRUSZVVVZZSE-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.35
Rot. Bonds5

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

1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 119243504) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID119243504
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5/c1-23-10-14(19)17-12-6-4-5-11(9-12)15(20)18-8-3-2-7-13(18)16(21)22/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19)(H,21,22)
InChIKeyPZPRUSZVVVZZSE-UHFFFAOYSA-N
XLogP1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 120526867
1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 120687704
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292
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-(trifluoromethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243426
1-[3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243418
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578
1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243546
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 119243504) is 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is COCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is PZPRUSZVVVZZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-23-10-14(19)17-12-6-4-5-11(9-12)15(20)18-8-3-2-7-13(18)16(21)22/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119243504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).