[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

C20H23F2N3O — CID 26398252

IUPAC[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H23F2N3O/c1-24(2)17-7-3-5-14(11-17)20(26)25-10-4-6-16(13-25)23-15-8-9-18(21)19(22)12-15/h3,5,7-9,11-12,16,23H,4,6,10,13H2,1-2H3/t16-/m0/s1
InChIKeyPQVDZJZNLYLYLV-INIZCTEOSA-N
MW359.42 g/mol
LogP3.75
Rot. Bonds4

About [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 26398252) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID26398252
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H23F2N3O/c1-24(2)17-7-3-5-14(11-17)20(26)25-10-4-6-16(13-25)23-15-8-9-18(21)19(22)12-15/h3,5,7-9,11-12,16,23H,4,6,10,13H2,1-2H3/t16-/m0/s1
InChIKeyPQVDZJZNLYLYLV-INIZCTEOSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95725142
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 42292653
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 26398252) is [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1.
What is the InChIKey of [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is PQVDZJZNLYLYLV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-24(2)17-7-3-5-14(11-17)20(26)25-10-4-6-16(13-25)23-15-8-9-18(21)19(22)12-15/h3,5,7-9,11-12,16,23H,4,6,10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 359.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 26398252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).