(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione

C14H13Cl2NO2 — CID 24757182

IUPAC(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
SMILESC=CC[C@]1(c2ccc(Cl)c(Cl)c2)CCC(=O)NC1=O
InChIInChI=1S/C14H13Cl2NO2/c1-2-6-14(7-5-12(18)17-13(14)19)9-3-4-10(15)11(16)8-9/h2-4,8H,1,5-7H2,(H,17,18,19)/t14-/m1/s1
InChIKeyMETILZFJUKAYDS-CQSZACIVSA-N
MW298.17 g/mol
LogP3.24
Rot. Bonds3

About (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione

(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione (PubChem CID 24757182) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
PubChem CID24757182
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
SMILESC=CC[C@]1(c2ccc(Cl)c(Cl)c2)CCC(=O)NC1=O
InChIInChI=1S/C14H13Cl2NO2/c1-2-6-14(7-5-12(18)17-13(14)19)9-3-4-10(15)11(16)8-9/h2-4,8H,1,5-7H2,(H,17,18,19)/t14-/m1/s1
InChIKeyMETILZFJUKAYDS-CQSZACIVSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11088812
3-[(3R)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11727231
3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 71024670
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione
CID 176710202
2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one
CID 86212741
4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
CID 141143893
2-[3,4-bis(methylideneamino)phenyl]-2-prop-2-enylcyclohexan-1-one
CID 177061566
4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
CID 102495292
3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione
CID 4073534
3-(4-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155376

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione (CID 24757182) is (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione is C=CC[C@]1(c2ccc(Cl)c(Cl)c2)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione?
The InChIKey is METILZFJUKAYDS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-6-14(7-5-12(18)17-13(14)19)9-3-4-10(15)11(16)8-9/h2-4,8H,1,5-7H2,(H,17,18,19)/t14-/m1/s1.
What are the key properties of (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione?
(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione has a molecular weight of 298.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione is sourced from PubChem (CID 24757182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).