(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

C18H18ClFN2O — CID 45192484

IUPAC(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H18ClFN2O/c19-13-8-9-17(20)16(11-13)18(23)22-10-4-7-15(12-22)21-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2
InChIKeyFKWOGDDSLJQNGH-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.20
Rot. Bonds3

About (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 45192484) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID45192484
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H18ClFN2O/c19-13-8-9-17(20)16(11-13)18(23)22-10-4-7-15(12-22)21-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2
InChIKeyFKWOGDDSLJQNGH-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methanone
CID 42198210
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266

Frequently Asked Questions

What is the IUPAC name of (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (CID 45192484) is (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is O=C(c1cc(Cl)ccc1F)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is FKWOGDDSLJQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-13-8-9-17(20)16(11-13)18(23)22-10-4-7-15(12-22)21-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2.
What are the key properties of (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 332.81 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 45192484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).