4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid

C26H26FN3O4 — CID 22126714

IUPAC4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid
SMILESO=C(NCc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H26FN3O4/c27-21-10-8-18(9-11-21)22-12-14-30(26(32)33)16-24(22)34-17-20-6-2-1-5-19(20)15-29-25(31)23-7-3-4-13-28-23/h1-11,13,22,24H,12,14-17H2,(H,29,31)(H,32,33)
InChIKeyQIOCBWGIWWMMBW-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.20
Rot. Bonds7

About 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid (PubChem CID 22126714) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid
PubChem CID22126714
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC Name4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid
SMILESO=C(NCc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H26FN3O4/c27-21-10-8-18(9-11-21)22-12-14-30(26(32)33)16-24(22)34-17-20-6-2-1-5-19(20)15-29-25(31)23-7-3-4-13-28-23/h1-11,13,22,24H,12,14-17H2,(H,29,31)(H,32,33)
InChIKeyQIOCBWGIWWMMBW-UHFFFAOYSA-N
XLogP4.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid (CID 22126714) is 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid is O=C(NCc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid?
The InChIKey is QIOCBWGIWWMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c27-21-10-8-18(9-11-21)22-12-14-30(26(32)33)16-24(22)34-17-20-6-2-1-5-19(20)15-29-25(31)23-7-3-4-13-28-23/h1-11,13,22,24H,12,14-17H2,(H,29,31)(H,32,33).
What are the key properties of 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid has a molecular weight of 463.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[[2-[(pyridine-2-carbonylamino)methyl]phenyl]methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22126714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).