1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid

C20H24FN3O3 — CID 169094696

IUPAC1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C20H24FN3O3/c21-17-11-15(16-12-22-24(13-16)19-3-1-2-10-27-19)4-5-18(17)23-8-6-14(7-9-23)20(25)26/h4-5,11-14,19H,1-3,6-10H2,(H,25,26)
InChIKeyWPWFRMIROLJPLV-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid

1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid (PubChem CID 169094696) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid
PubChem CID169094696
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C20H24FN3O3/c21-17-11-15(16-12-22-24(13-16)19-3-1-2-10-27-19)4-5-18(17)23-8-6-14(7-9-23)20(25)26/h4-5,11-14,19H,1-3,6-10H2,(H,25,26)
InChIKeyWPWFRMIROLJPLV-UHFFFAOYSA-N
XLogP3.69
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid (CID 169094696) is 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1.
What is the InChIKey of 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid?
The InChIKey is WPWFRMIROLJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-17-11-15(16-12-22-24(13-16)19-3-1-2-10-27-19)4-5-18(17)23-8-6-14(7-9-23)20(25)26/h4-5,11-14,19H,1-3,6-10H2,(H,25,26).
What are the key properties of 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid?
1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 169094696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).