5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one

C14H18ClFN2O — CID 82993684

IUPAC5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-3-5-12(15)13(16)7-10)17-11-4-6-14(19)18(2)8-11/h3,5,7,9,11,17H,4,6,8H2,1-2H3
InChIKeySQDRQLZZHHEXRC-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.75
Rot. Bonds3

About 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one

5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one (PubChem CID 82993684) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
PubChem CID82993684
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-3-5-12(15)13(16)7-10)17-11-4-6-14(19)18(2)8-11/h3,5,7,9,11,17H,4,6,8H2,1-2H3
InChIKeySQDRQLZZHHEXRC-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
CID 64654470
5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one
CID 64654295
5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 64656122
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453
5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one
CID 84588338
4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 83068982
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
3-[1-(4-chloro-3-fluorophenyl)ethylamino]azepan-2-one
CID 82888994
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one (CID 82993684) is 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one is CC(NC1CCC(=O)N(C)C1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one?
The InChIKey is SQDRQLZZHHEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(10-3-5-12(15)13(16)7-10)17-11-4-6-14(19)18(2)8-11/h3,5,7,9,11,17H,4,6,8H2,1-2H3.
What are the key properties of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one?
5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one has a molecular weight of 284.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 82993684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).