1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione

C16H19ClN2O2 — CID 155114949

IUPAC1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)11-19-15(20)10-14(16(19)21)18-8-2-1-3-9-18/h4-7,14H,1-3,8-11H2
InChIKeyYZBRSGKCDYUXCS-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.45
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione

1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 155114949) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID155114949
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)11-19-15(20)10-14(16(19)21)18-8-2-1-3-9-18/h4-7,14H,1-3,8-11H2
InChIKeyYZBRSGKCDYUXCS-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3R)-1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2119966
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 41270703
1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 6458645
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 1282161
(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
CID 67924913
1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 27833260
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 155114949) is 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCCCC2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is YZBRSGKCDYUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)11-19-15(20)10-14(16(19)21)18-8-2-1-3-9-18/h4-7,14H,1-3,8-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 155114949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).