1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C19H22FN3O — CID 24794121

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O/c20-16-4-6-17(7-5-16)22-18-2-1-13-23(14-18)19(24)8-3-15-9-11-21-12-10-15/h4-7,9-12,18,22H,1-3,8,13-14H2
InChIKeyNKKNWVXKSZKAHO-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 24794121) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID24794121
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O/c20-16-4-6-17(7-5-16)22-18-2-1-13-23(14-18)19(24)8-3-15-9-11-21-12-10-15/h4-7,9-12,18,22H,1-3,8,13-14H2
InChIKeyNKKNWVXKSZKAHO-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 24794121) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is NKKNWVXKSZKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-4-6-17(7-5-16)22-18-2-1-13-23(14-18)19(24)8-3-15-9-11-21-12-10-15/h4-7,9-12,18,22H,1-3,8,13-14H2.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 24794121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).