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

C11H11Cl2FN2O — CID 107579725

IUPAC3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
SMILESNC1CCCN(c2cc(Cl)c(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H11Cl2FN2O/c12-7-4-6(5-8(13)10(7)14)16-3-1-2-9(15)11(16)17/h4-5,9H,1-3,15H2
InChIKeyXONCVPWYZMRZKQ-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.59
Rot. Bonds1

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

3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one (PubChem CID 107579725) has the molecular formula C11H11Cl2FN2O and a molecular weight of 277.13 g/mol. Its IUPAC name is 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
PubChem CID107579725
Molecular FormulaC11H11Cl2FN2O
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
SMILESNC1CCCN(c2cc(Cl)c(F)c(Cl)c2)C1=O
InChIInChI=1S/C11H11Cl2FN2O/c12-7-4-6(5-8(13)10(7)14)16-3-1-2-9(15)11(16)17/h4-5,9H,1-3,15H2
InChIKeyXONCVPWYZMRZKQ-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.59
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-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579720
3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
3-amino-1-phenylazepan-2-one
CID 59657864
3-amino-1-thiophen-3-ylpiperidin-2-one
CID 66355839
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 116700143
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
(3R)-3-amino-1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]piperidin-2-one
CID 154971451
3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one
CID 82861131
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The IUPAC name of 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one (CID 107579725) is 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one is NC1CCCN(c2cc(Cl)c(F)c(Cl)c2)C1=O.
What is the InChIKey of 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
The InChIKey is XONCVPWYZMRZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2O/c12-7-4-6(5-8(13)10(7)14)16-3-1-2-9(15)11(16)17/h4-5,9H,1-3,15H2.
What are the key properties of 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one?
3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one has a molecular weight of 277.13 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 107579725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).