N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide

C20H22FN3O2 — CID 25380229

IUPACN-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-17-9-7-15(8-10-17)20(26)24-11-3-6-19(13-24)23-18-5-2-4-16(21)12-18/h2,4-5,7-10,12,19,23H,3,6,11,13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyHBRAKANUGYTFJP-LJQANCHMSA-N
MW355.41 g/mol
LogP3.50
Rot. Bonds4

About N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide

N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 25380229) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID25380229
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H22FN3O2/c1-14(25)22-17-9-7-15(8-10-17)20(26)24-11-3-6-19(13-24)23-18-5-2-4-16(21)12-18/h2,4-5,7-10,12,19,23H,3,6,11,13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyHBRAKANUGYTFJP-LJQANCHMSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[3-(3-fluoroanilino)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56915294
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95728663
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide (CID 25380229) is N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is HBRAKANUGYTFJP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14(25)22-17-9-7-15(8-10-17)20(26)24-11-3-6-19(13-24)23-18-5-2-4-16(21)12-18/h2,4-5,7-10,12,19,23H,3,6,11,13H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 25380229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).