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

C17H23FN2O — CID 24790190

IUPACcyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O/c18-14-7-9-15(10-8-14)19-16-6-3-11-20(12-16)17(21)13-4-1-2-5-13/h7-10,13,16,19H,1-6,11-12H2
InChIKeyKPBCBIYCIVMTJD-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.42
Rot. Bonds3

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

cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24790190) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24790190
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Namecyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O/c18-14-7-9-15(10-8-14)19-16-6-3-11-20(12-16)17(21)13-4-1-2-5-13/h7-10,13,16,19H,1-6,11-12H2
InChIKeyKPBCBIYCIVMTJD-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24790190) is cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is KPBCBIYCIVMTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-14-7-9-15(10-8-14)19-16-6-3-11-20(12-16)17(21)13-4-1-2-5-13/h7-10,13,16,19H,1-6,11-12H2.
What are the key properties of cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 290.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).