3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one

C19H25FN4O — CID 24791513

IUPAC3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN4O/c1-2-18-21-10-13-23(18)12-9-19(25)24-11-3-4-17(14-24)22-16-7-5-15(20)6-8-16/h5-8,10,13,17,22H,2-4,9,11-12,14H2,1H3
InChIKeyRRXSXKKMRCBXEU-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.08
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one (PubChem CID 24791513) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
PubChem CID24791513
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN4O/c1-2-18-21-10-13-23(18)12-9-19(25)24-11-3-4-17(14-24)22-16-7-5-15(20)6-8-16/h5-8,10,13,17,22H,2-4,9,11-12,14H2,1H3
InChIKeyRRXSXKKMRCBXEU-UHFFFAOYSA-N
XLogP3.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one (CID 24791513) is 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The InChIKey is RRXSXKKMRCBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-18-21-10-13-23(18)12-9-19(25)24-11-3-4-17(14-24)22-16-7-5-15(20)6-8-16/h5-8,10,13,17,22H,2-4,9,11-12,14H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one has a molecular weight of 344.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24791513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).