3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one

C14H15Cl2FN2O — CID 107579720

IUPAC3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C14H15Cl2FN2O/c15-10-6-9(7-11(16)13(10)17)19-5-1-2-12(14(19)20)18-8-3-4-8/h6-8,12,18H,1-5H2
InChIKeyGRPMJPLYRSJOJY-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.38
Rot. Bonds3

About 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one

3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one (PubChem CID 107579720) has the molecular formula C14H15Cl2FN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
PubChem CID107579720
Molecular FormulaC14H15Cl2FN2O
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C14H15Cl2FN2O/c15-10-6-9(7-11(16)13(10)17)19-5-1-2-12(14(19)20)18-8-3-4-8/h6-8,12,18H,1-5H2
InChIKeyGRPMJPLYRSJOJY-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579725
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one
CID 107617205
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
CID 82859484
3-chloro-4-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]benzonitrile
CID 107810414
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
CID 115379175
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
CID 118740667
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
CID 99836421
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
2-methylpropyl 4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 86784110

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one (CID 107579720) is 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one is O=C1C(NC2CC2)CCCN1c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The InChIKey is GRPMJPLYRSJOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN2O/c15-10-6-9(7-11(16)13(10)17)19-5-1-2-12(14(19)20)18-8-3-4-8/h6-8,12,18H,1-5H2.
What are the key properties of 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 107579720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).