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

C19H26N2O5 — CID 120526867

IUPAC1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCCC(C)OCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C19H26N2O5/c1-3-13(2)26-12-17(22)20-15-8-6-7-14(11-15)18(23)21-10-5-4-9-16(21)19(24)25/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyNPPOFIBLZSXWKO-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.52
Rot. Bonds7

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

1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 120526867) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID120526867
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCCC(C)OCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C19H26N2O5/c1-3-13(2)26-12-17(22)20-15-8-6-7-14(11-15)18(23)21-10-5-4-9-16(21)19(24)25/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyNPPOFIBLZSXWKO-UHFFFAOYSA-N
XLogP2.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.52
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-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
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-(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-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
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-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 120526867) is 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is CCC(C)OCC(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is NPPOFIBLZSXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-13(2)26-12-17(22)20-15-8-6-7-14(11-15)18(23)21-10-5-4-9-16(21)19(24)25/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120526867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).