3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one

C11H10Cl3NO — CID 134094956

IUPAC3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
SMILESO=C1N(c2ccc(Cl)cc2)CCCC1(Cl)Cl
InChIInChI=1S/C11H10Cl3NO/c12-8-2-4-9(5-3-8)15-7-1-6-11(13,14)10(15)16/h2-5H,1,6-7H2
InChIKeyAULNIMFFXXPGPJ-UHFFFAOYSA-N
MW278.57 g/mol
LogP3.64
Rot. Bonds1

About 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one

3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one (PubChem CID 134094956) has the molecular formula C11H10Cl3NO and a molecular weight of 278.57 g/mol. Its IUPAC name is 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
PubChem CID134094956
Molecular FormulaC11H10Cl3NO
Molecular Weight278.57 g/mol
Exact Mass276.98
IUPAC Name3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
SMILESO=C1N(c2ccc(Cl)cc2)CCCC1(Cl)Cl
InChIInChI=1S/C11H10Cl3NO/c12-8-2-4-9(5-3-8)15-7-1-6-11(13,14)10(15)16/h2-5H,1,6-7H2
InChIKeyAULNIMFFXXPGPJ-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
CID 74539659
3,3-dichloro-1-(3-iodophenyl)piperidin-2-one
CID 171523182
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
CID 171779142
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione;methane
CID 143728934
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
1-(4-chlorophenyl)-3-[(3S)-1-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methyl-2-oxopiperidin-3-yl]urea
CID 129226984

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one?
The IUPAC name of 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one (CID 134094956) is 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one.
What is the SMILES notation for 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one?
The canonical SMILES for 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one is O=C1N(c2ccc(Cl)cc2)CCCC1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one?
The InChIKey is AULNIMFFXXPGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO/c12-8-2-4-9(5-3-8)15-7-1-6-11(13,14)10(15)16/h2-5H,1,6-7H2.
What are the key properties of 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one?
3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one has a molecular weight of 278.57 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 134094956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).