1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C19H22FN3O3 — CID 56903474

IUPAC1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H22FN3O3/c1-13(2)16-6-9-23(21-16)19(18(25)26)7-10-22(11-8-19)17(24)14-4-3-5-15(20)12-14/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,25,26)
InChIKeyFNXGZJFEOZSFCE-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.86
Rot. Bonds4

About 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56903474) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56903474
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H22FN3O3/c1-13(2)16-6-9-23(21-16)19(18(25)26)7-10-22(11-8-19)17(24)14-4-3-5-15(20)12-14/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,25,26)
InChIKeyFNXGZJFEOZSFCE-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56903474) is 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cccc(F)c3)CC2)n1.
What is the InChIKey of 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is FNXGZJFEOZSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13(2)16-6-9-23(21-16)19(18(25)26)7-10-22(11-8-19)17(24)14-4-3-5-15(20)12-14/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,25,26).
What are the key properties of 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56903474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).