4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one

C20H28ClFN2O — CID 155757716

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one
SMILESCN1CCC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CC1=O
InChIInChI=1S/C20H28ClFN2O/c1-24-11-9-17(13-20(24)25)23-10-8-14-2-4-15(5-3-14)18-7-6-16(22)12-19(18)21/h6-7,12,14-15,17,23H,2-5,8-11,13H2,1H3
InChIKeyZJKSZXNSLFYMQF-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.35
Rot. Bonds5

About 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one (PubChem CID 155757716) has the molecular formula C20H28ClFN2O and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one
PubChem CID155757716
Molecular FormulaC20H28ClFN2O
Molecular Weight366.91 g/mol
Exact Mass366.19
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one
SMILESCN1CCC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CC1=O
InChIInChI=1S/C20H28ClFN2O/c1-24-11-9-17(13-20(24)25)23-10-8-14-2-4-15(5-3-14)18-7-6-16(22)12-19(18)21/h6-7,12,14-15,17,23H,2-5,8-11,13H2,1H3
InChIKeyZJKSZXNSLFYMQF-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one (CID 155757716) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one is CN1CCC(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CC1=O.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one?
The InChIKey is ZJKSZXNSLFYMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClFN2O/c1-24-11-9-17(13-20(24)25)23-10-8-14-2-4-15(5-3-14)18-7-6-16(22)12-19(18)21/h6-7,12,14-15,17,23H,2-5,8-11,13H2,1H3.
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one has a molecular weight of 366.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 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]-1-methylpiperidin-2-one is sourced from PubChem (CID 155757716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).