1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

C29H29Cl2N3O2 — CID 45274308

IUPAC1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C29H29Cl2N3O2/c30-25-12-7-13-26(31)24(25)20-32-16-18-33(19-17-32)27(35)21-34-15-14-29(28(34)36,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13H,14-21H2
InChIKeyFYPCOSCSSZKVCB-UHFFFAOYSA-N
MW522.48 g/mol
LogP4.86
Rot. Bonds6

About 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (PubChem CID 45274308) has the molecular formula C29H29Cl2N3O2 and a molecular weight of 522.48 g/mol. Its IUPAC name is 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
PubChem CID45274308
Molecular FormulaC29H29Cl2N3O2
Molecular Weight522.48 g/mol
Exact Mass521.16
IUPAC Name1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C29H29Cl2N3O2/c30-25-12-7-13-26(31)24(25)20-32-16-18-33(19-17-32)27(35)21-34-15-14-29(28(34)36,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13H,14-21H2
InChIKeyFYPCOSCSSZKVCB-UHFFFAOYSA-N
XLogP4.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[(2,6-Dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10008102
1-[4-[(2,4-Dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10459625
8-(Bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 11848793
1-(1-Adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine
CID 45277749
1-{2-[4-(2,4-Dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 57396815
(2-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489808
1-(4-Benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone
CID 4827039
8-(Bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 42629117
1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine
CID 44177031
8-(Bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574848
8-(bis(2-chlorophenyl)methyl)-N-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574890
8-(bis(2-chlorophenyl)methyl)-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (CID 45274308) is 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The InChIKey is FYPCOSCSSZKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N3O2/c30-25-12-7-13-26(31)24(25)20-32-16-18-33(19-17-32)27(35)21-34-15-14-29(28(34)36,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13H,14-21H2.
What are the key properties of 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one has a molecular weight of 522.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 45274308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).