3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione

C23H24Cl2N2O2 — CID 19421899

IUPAC3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
SMILESO=C1CCN(C(CN2CCCC2)c2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2O2/c24-18-9-8-17(14-19(18)25)22-21(28)10-13-27(23(22)29)20(15-26-11-4-5-12-26)16-6-2-1-3-7-16/h1-3,6-9,14,20,22H,4-5,10-13,15H2
InChIKeyVJNQABGAEUNALB-UHFFFAOYSA-N
MW431.36 g/mol
LogP4.72
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione

3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione (PubChem CID 19421899) has the molecular formula C23H24Cl2N2O2 and a molecular weight of 431.36 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
PubChem CID19421899
Molecular FormulaC23H24Cl2N2O2
Molecular Weight431.36 g/mol
Exact Mass430.12
IUPAC Name3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
SMILESO=C1CCN(C(CN2CCCC2)c2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N2O2/c24-18-9-8-17(14-19(18)25)22-21(28)10-13-27(23(22)29)20(15-26-11-4-5-12-26)16-6-2-1-3-7-16/h1-3,6-9,14,20,22H,4-5,10-13,15H2
InChIKeyVJNQABGAEUNALB-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 54473974
4-(3,4-dichlorophenyl)-2-methyl-1-(pyrrolidin-1-ylmethyl)-1,4-dihydroisoquinolin-3-one
CID 85088213
3-(3,4-dichlorophenyl)-1-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]piperidin-2-one
CID 18655772
1-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one
CID 22573216
2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
CID 18938999
N-[[4-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide
CID 22573219
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212014
3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
CID 19421901
[1-(3,4-dichlorophenyl)-2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl] acetate
CID 10072390
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
CID 24844907
2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 142799873
3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949824

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione (CID 19421899) is 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione is O=C1CCN(C(CN2CCCC2)c2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione?
The InChIKey is VJNQABGAEUNALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2/c24-18-9-8-17(14-19(18)25)22-21(28)10-13-27(23(22)29)20(15-26-11-4-5-12-26)16-6-2-1-3-7-16/h1-3,6-9,14,20,22H,4-5,10-13,15H2.
What are the key properties of 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione?
3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione has a molecular weight of 431.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione is sourced from PubChem (CID 19421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).