1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one

C18H22Cl2N2O2 — CID 175838103

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c19-14-5-4-13(16(20)10-14)12-22-15(6-7-17(22)23)11-18(24)21-8-2-1-3-9-21/h4-5,10,15H,1-3,6-9,11-12H2
InChIKeyNBMPWJWGAXTHJW-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.89
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one

1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 175838103) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
PubChem CID175838103
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c19-14-5-4-13(16(20)10-14)12-22-15(6-7-17(22)23)11-18(24)21-8-2-1-3-9-21/h4-5,10,15H,1-3,6-9,11-12H2
InChIKeyNBMPWJWGAXTHJW-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 175838030
N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541593
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 175838048
2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 24881854
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403173
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19295318
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one (CID 175838103) is 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one is O=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is NBMPWJWGAXTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-14-5-4-13(16(20)10-14)12-22-15(6-7-17(22)23)11-18(24)21-8-2-1-3-9-21/h4-5,10,15H,1-3,6-9,11-12H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one?
1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 369.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 175838103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).