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

C21H24F2N4O — CID 74809267

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11,18-20,24-26H,2,5,10,12-13H2
InChIKeyWLYVMASUNVJWPW-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.83
Rot. Bonds4

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

[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone (PubChem CID 74809267) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
PubChem CID74809267
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
SMILESO=C(C1CNNC1c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11,18-20,24-26H,2,5,10,12-13H2
InChIKeyWLYVMASUNVJWPW-UHFFFAOYSA-N
XLogP2.83
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-[3-(3-methoxyphenyl)pyrazolidin-4-yl]methanone
CID 75099957
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 134067503
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 134057149
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52986939
3-[[(2S,4S)-4-fluoro-1-[3-(3-fluorophenyl)pyrazolidine-4-carbonyl]pyrrolidin-2-yl]methyl]-1,1-dimethylurea
CID 134063974
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone (CID 74809267) is [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone is O=C(C1CNNC1c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone?
The InChIKey is WLYVMASUNVJWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11,18-20,24-26H,2,5,10,12-13H2.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone is sourced from PubChem (CID 74809267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).