1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C23H26Cl2N4O2 — CID 175838030

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H26Cl2N4O2/c24-18-5-4-17(21(25)13-18)15-29-20(6-7-22(29)30)14-23(31)28-11-9-27(10-12-28)16-19-3-1-2-8-26-19/h1-5,8,13,20H,6-7,9-12,14-16H2
InChIKeySKQRTXODEOGPEG-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.61
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 175838030) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID175838030
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H26Cl2N4O2/c24-18-5-4-17(21(25)13-18)15-29-20(6-7-22(29)30)14-23(31)28-11-9-27(10-12-28)16-19-3-1-2-8-26-19/h1-5,8,13,20H,6-7,9-12,14-16H2
InChIKeySKQRTXODEOGPEG-UHFFFAOYSA-N
XLogP3.61
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 175838103
N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541593
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 19119293
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19295318
1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 19296977

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 175838030) is 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is O=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is SKQRTXODEOGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c24-18-5-4-17(21(25)13-18)15-29-20(6-7-22(29)30)14-23(31)28-11-9-27(10-12-28)16-19-3-1-2-8-26-19/h1-5,8,13,20H,6-7,9-12,14-16H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 461.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 175838030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).