5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one

C14H16ClFN2O — CID 114454794

IUPAC5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
SMILESNC1CCC(=O)N(C2CC2)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H16ClFN2O/c15-9-5-8(6-10(16)7-9)14-12(17)3-4-13(19)18(14)11-1-2-11/h5-7,11-12,14H,1-4,17H2
InChIKeySCFFSVZYRNMYNY-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.63
Rot. Bonds2

About 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one

5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one (PubChem CID 114454794) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
PubChem CID114454794
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
SMILESNC1CCC(=O)N(C2CC2)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H16ClFN2O/c15-9-5-8(6-10(16)7-9)14-12(17)3-4-13(19)18(14)11-1-2-11/h5-7,11-12,14H,1-4,17H2
InChIKeySCFFSVZYRNMYNY-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-7-(3-chloro-5-fluorophenyl)-1-propan-2-ylazepan-2-one
CID 114454804
5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
CID 106534346
5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one
CID 112739859
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 103570764
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114454821
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
CID 65021981
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
6-amino-7-(4-bromo-3-methylphenyl)-1-cyclopropylazepan-2-one
CID 66480106
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379163

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one?
The IUPAC name of 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one (CID 114454794) is 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one is NC1CCC(=O)N(C2CC2)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one?
The InChIKey is SCFFSVZYRNMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-9-5-8(6-10(16)7-9)14-12(17)3-4-13(19)18(14)11-1-2-11/h5-7,11-12,14H,1-4,17H2.
What are the key properties of 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one?
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one has a molecular weight of 282.75 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one is sourced from PubChem (CID 114454794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).