5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one

C13H14Cl2N2O — CID 157209657

IUPAC5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1N(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-8-12(5-6-13(18)16-8)17(2)9-3-4-10(14)11(15)7-9/h3-4,7,12H,1,5-6H2,2H3,(H,16,18)
InChIKeyOCXLIDVRXQMYTD-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.22
Rot. Bonds2

About 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one

5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one (PubChem CID 157209657) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one
PubChem CID157209657
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1N(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-8-12(5-6-13(18)16-8)17(2)9-3-4-10(14)11(15)7-9/h3-4,7,12H,1,5-6H2,2H3,(H,16,18)
InChIKeyOCXLIDVRXQMYTD-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
CID 170102732
(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 59726187
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
5-(7-amino-2-methylquinolin-3-yl)-6-methylidenepiperidin-2-one
CID 167151208
3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
CID 157299388
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 69305559
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
5-bromo-6-methylidenepiperidin-2-one;propane
CID 177140636

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one?
The IUPAC name of 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one (CID 157209657) is 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one?
The canonical SMILES for 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one is C=C1NC(=O)CCC1N(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one?
The InChIKey is OCXLIDVRXQMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-8-12(5-6-13(18)16-8)17(2)9-3-4-10(14)11(15)7-9/h3-4,7,12H,1,5-6H2,2H3,(H,16,18).
What are the key properties of 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one?
5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one has a molecular weight of 285.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 157209657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).