[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C20H20FN5O — CID 95727323

IUPAC[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25)/t18-/m1/s1
InChIKeyGCKWLMBKONRVMR-GOSISDBHSA-N
MW365.41 g/mol
LogP3.33
Rot. Bonds4

About [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 95727323) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID95727323
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25)/t18-/m1/s1
InChIKeyGCKWLMBKONRVMR-GOSISDBHSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727322
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[3-(2-aminoethyl)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone;hydrochloride
CID 154891370
[(3S)-3-(dimethylamino)azepan-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70752814
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 95727323) is [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ncn[nH]2)cc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is GCKWLMBKONRVMR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25)/t18-/m1/s1.
What are the key properties of [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 95727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).