1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C18H23FN4O — CID 24819297

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-12-14(11-20-22)4-9-18(24)23-10-2-3-17(13-23)21-16-7-5-15(19)6-8-16/h5-8,11-12,17,21H,2-4,9-10,13H2,1H3
InChIKeyNDMWZLKZJLVEAZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.59
Rot. Bonds5

About 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 24819297) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID24819297
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-12-14(11-20-22)4-9-18(24)23-10-2-3-17(13-23)21-16-7-5-15(19)6-8-16/h5-8,11-12,17,21H,2-4,9-10,13H2,1H3
InChIKeyNDMWZLKZJLVEAZ-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 24819297) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is NDMWZLKZJLVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22-12-14(11-20-22)4-9-18(24)23-10-2-3-17(13-23)21-16-7-5-15(19)6-8-16/h5-8,11-12,17,21H,2-4,9-10,13H2,1H3.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 330.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 24819297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).