4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one

C19H26ClFN2O — CID 155757723

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
SMILESO=C1CC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCN1
InChIInChI=1S/C19H26ClFN2O/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)7-9-22-16-8-10-23-19(24)12-16/h5-6,11,13-14,16,22H,1-4,7-10,12H2,(H,23,24)
InChIKeyDWFQYOPFHLUIPG-UHFFFAOYSA-N
MW352.88 g/mol
LogP4.01
Rot. Bonds5

About 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one (PubChem CID 155757723) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
PubChem CID155757723
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
SMILESO=C1CC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCN1
InChIInChI=1S/C19H26ClFN2O/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)7-9-22-16-8-10-23-19(24)12-16/h5-6,11,13-14,16,22H,1-4,7-10,12H2,(H,23,24)
InChIKeyDWFQYOPFHLUIPG-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(4-fluorophenyl)propanamide
CID 57889883
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-fluorophenyl)propanamide
CID 57889975
2,2-Bis-(2-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10048481
2,2-Bis-(4-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10455544
N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24790429
2-[2-(3-chlorophenyl)phenyl]-N-piperidin-4-ylacetamide
CID 46890962
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57392441
N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57401145
(4R)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 153338603
N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790431

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one (CID 155757723) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one is O=C1CC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCN1.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The InChIKey is DWFQYOPFHLUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c20-18-11-15(21)5-6-17(18)14-3-1-13(2-4-14)7-9-22-16-8-10-23-19(24)12-16/h5-6,11,13-14,16,22H,1-4,7-10,12H2,(H,23,24).
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one has a molecular weight of 352.88 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one is sourced from PubChem (CID 155757723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).