4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid

C19H21FN2O3 — CID 170056054

IUPAC4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(Cc2ccc(Cn3ccccc3=O)cc2)CC1
InChIInChI=1S/C19H21FN2O3/c20-19(18(24)25)8-11-21(12-9-19)13-15-4-6-16(7-5-15)14-22-10-2-1-3-17(22)23/h1-7,10H,8-9,11-14H2,(H,24,25)
InChIKeyDEAXXJHSIJITRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.29
Rot. Bonds5

About 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid

4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 170056054) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID170056054
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(Cc2ccc(Cn3ccccc3=O)cc2)CC1
InChIInChI=1S/C19H21FN2O3/c20-19(18(24)25)8-11-21(12-9-19)13-15-4-6-16(7-5-15)14-22-10-2-1-3-17(22)23/h1-7,10H,8-9,11-14H2,(H,24,25)
InChIKeyDEAXXJHSIJITRW-UHFFFAOYSA-N
XLogP2.29
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid (CID 170056054) is 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid is O=C(O)C1(F)CCN(Cc2ccc(Cn3ccccc3=O)cc2)CC1.
What is the InChIKey of 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DEAXXJHSIJITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-19(18(24)25)8-11-21(12-9-19)13-15-4-6-16(7-5-15)14-22-10-2-1-3-17(22)23/h1-7,10H,8-9,11-14H2,(H,24,25).
What are the key properties of 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid?
4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 170056054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).