[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

C22H26FN3O — CID 42522581

IUPAC[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C22H26FN3O/c1-25-12-2-4-16-14-17(6-11-21(16)25)22(27)26-13-3-5-20(15-26)24-19-9-7-18(23)8-10-19/h6-11,14,20,24H,2-5,12-13,15H2,1H3/t20-/m1/s1
InChIKeyZQTIAIGDOYEYCH-HXUWFJFHSA-N
MW367.47 g/mol
LogP3.92
Rot. Bonds3

About [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone (PubChem CID 42522581) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
PubChem CID42522581
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C22H26FN3O/c1-25-12-2-4-16-14-17(6-11-21(16)25)22(27)26-13-3-5-20(15-26)24-19-9-7-18(23)8-10-19/h6-11,14,20,24H,2-5,12-13,15H2,1H3/t20-/m1/s1
InChIKeyZQTIAIGDOYEYCH-HXUWFJFHSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone with MolForge

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Related Compounds

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727323
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727322
[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 24817113
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45212916
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 95813537

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The IUPAC name of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone (CID 42522581) is [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The canonical SMILES for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone is CN1CCCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)ccc21.
What is the InChIKey of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The InChIKey is ZQTIAIGDOYEYCH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-25-12-2-4-16-14-17(6-11-21(16)25)22(27)26-13-3-5-20(15-26)24-19-9-7-18(23)8-10-19/h6-11,14,20,24H,2-5,12-13,15H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone is sourced from PubChem (CID 42522581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).