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

C14H17FN2O3 — CID 28513054

IUPAC1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-10(2-4-12)9-16-14(20)17-7-5-11(6-8-17)13(18)19/h1-4,11H,5-9H2,(H,16,20)(H,18,19)
InChIKeyOSSQRODRWPGFBB-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.83
Rot. Bonds3

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

1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 28513054) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID28513054
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-10(2-4-12)9-16-14(20)17-7-5-11(6-8-17)13(18)19/h1-4,11H,5-9H2,(H,16,20)(H,18,19)
InChIKeyOSSQRODRWPGFBB-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 28513054) is 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OSSQRODRWPGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-3-1-10(2-4-12)9-16-14(20)17-7-5-11(6-8-17)13(18)19/h1-4,11H,5-9H2,(H,16,20)(H,18,19).
What are the key properties of 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 28513054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).