[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone

C25H24F2N2O — CID 19771949

IUPAC[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24F2N2O/c26-21-8-6-18(7-9-21)24(28-23-12-10-22(27)11-13-23)19-14-16-29(17-15-19)25(30)20-4-2-1-3-5-20/h1-13,19,24,28H,14-17H2
InChIKeyQDWPVAPOCUFUCT-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.67
Rot. Bonds5

About [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone

[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 19771949) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
PubChem CID19771949
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H24F2N2O/c26-21-8-6-18(7-9-21)24(28-23-12-10-22(27)11-13-23)19-14-16-29(17-15-19)25(30)20-4-2-1-3-5-20/h1-13,19,24,28H,14-17H2
InChIKeyQDWPVAPOCUFUCT-UHFFFAOYSA-N
XLogP5.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 19772106
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone
CID 23435892
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 170231670

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone (CID 19771949) is [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is QDWPVAPOCUFUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c26-21-8-6-18(7-9-21)24(28-23-12-10-22(27)11-13-23)19-14-16-29(17-15-19)25(30)20-4-2-1-3-5-20/h1-13,19,24,28H,14-17H2.
What are the key properties of [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone?
[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 406.48 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 19771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).