1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid

C21H23FN2O4 — CID 122010210

IUPAC1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c22-19-4-2-1-3-17(19)14-28-18-7-5-15(6-8-18)13-23-21(27)24-11-9-16(10-12-24)20(25)26/h1-8,16H,9-14H2,(H,23,27)(H,25,26)
InChIKeyCWNWZYYWODKZMN-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.41
Rot. Bonds6

About 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010210) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122010210
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c22-19-4-2-1-3-17(19)14-28-18-7-5-15(6-8-18)13-23-21(27)24-11-9-16(10-12-24)20(25)26/h1-8,16H,9-14H2,(H,23,27)(H,25,26)
InChIKeyCWNWZYYWODKZMN-UHFFFAOYSA-N
XLogP3.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122010210) is 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1.
What is the InChIKey of 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is CWNWZYYWODKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c22-19-4-2-1-3-17(19)14-28-18-7-5-15(6-8-18)13-23-21(27)24-11-9-16(10-12-24)20(25)26/h1-8,16H,9-14H2,(H,23,27)(H,25,26).
What are the key properties of 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 386.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122010210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).