1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid

C21H22N2O5 — CID 154750488

IUPAC1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O5/c22-19(24)16-8-1-2-10-18(16)28-13-14-6-5-7-15(12-14)20(25)23-11-4-3-9-17(23)21(26)27/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,24)(H,26,27)
InChIKeySTTLRYIMOXEWDC-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.44
Rot. Bonds6

About 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid

1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid (PubChem CID 154750488) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
PubChem CID154750488
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O5/c22-19(24)16-8-1-2-10-18(16)28-13-14-6-5-7-15(12-14)20(25)23-11-4-3-9-17(23)21(26)27/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,24)(H,26,27)
InChIKeySTTLRYIMOXEWDC-UHFFFAOYSA-N
XLogP2.44
TPSA109.93 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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid (CID 154750488) is 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid is NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is STTLRYIMOXEWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-19(24)16-8-1-2-10-18(16)28-13-14-6-5-7-15(12-14)20(25)23-11-4-3-9-17(23)21(26)27/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,24)(H,26,27).
What are the key properties of 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 154750488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).