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

C18H25FN2O — CID 24818997

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
SMILESCC1(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H25FN2O/c1-18(10-11-18)9-8-17(22)21-12-2-3-16(13-21)20-15-6-4-14(19)5-7-15/h4-7,16,20H,2-3,8-13H2,1H3
InChIKeyKPUMCVFSUPTDJG-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.81
Rot. Bonds5

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

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one (PubChem CID 24818997) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
PubChem CID24818997
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
SMILESCC1(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H25FN2O/c1-18(10-11-18)9-8-17(22)21-12-2-3-16(13-21)20-15-6-4-14(19)5-7-15/h4-7,16,20H,2-3,8-13H2,1H3
InChIKeyKPUMCVFSUPTDJG-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one (CID 24818997) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one is CC1(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one?
The InChIKey is KPUMCVFSUPTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-18(10-11-18)9-8-17(22)21-12-2-3-16(13-21)20-15-6-4-14(19)5-7-15/h4-7,16,20H,2-3,8-13H2,1H3.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one has a molecular weight of 304.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(1-methylcyclopropyl)propan-1-one is sourced from PubChem (CID 24818997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).