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

C19H26ClFN2O — CID 147441059

IUPAC(4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
SMILESO=C1C[C@@H](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)/t13?,14?,16-/m0/s1
InChIKeyDWFQYOPFHLUIPG-XUJLQICISA-N
MW352.88 g/mol
LogP4.01
Rot. Bonds5

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

(4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one (PubChem CID 147441059) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
PubChem CID147441059
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name(4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
SMILESO=C1C[C@@H](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)/t13?,14?,16-/m0/s1
InChIKeyDWFQYOPFHLUIPG-XUJLQICISA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The IUPAC name of (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one (CID 147441059) is (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one.
What is the SMILES notation for (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The canonical SMILES for (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one is O=C1C[C@@H](NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCN1.
What is the InChIKey of (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
The InChIKey is DWFQYOPFHLUIPG-XUJLQICISA-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)/t13?,14?,16-/m0/s1.
What are the key properties of (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one?
(4S)-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 (4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one is sourced from PubChem (CID 147441059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).