[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C16H19FN4O — CID 24817875

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-20-15(8-9-18-20)16(22)21-10-2-3-14(11-21)19-13-6-4-12(17)5-7-13/h4-9,14,19H,2-3,10-11H2,1H3
InChIKeyTVSMOFBWIFBATN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.28
Rot. Bonds3

About [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 24817875) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID24817875
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-20-15(8-9-18-20)16(22)21-10-2-3-14(11-21)19-13-6-4-12(17)5-7-13/h4-9,14,19H,2-3,10-11H2,1H3
InChIKeyTVSMOFBWIFBATN-UHFFFAOYSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 24817875) is [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is TVSMOFBWIFBATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-20-15(8-9-18-20)16(22)21-10-2-3-14(11-21)19-13-6-4-12(17)5-7-13/h4-9,14,19H,2-3,10-11H2,1H3.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 302.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 24817875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).