1-[(3-chlorophenyl)methyl]piperidine-2,6-dione

C12H12ClNO2 — CID 82129732

IUPAC1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2/c13-10-4-1-3-9(7-10)8-14-11(15)5-2-6-12(14)16/h1,3-4,7H,2,5-6,8H2
InChIKeyLEGXOOQWRSNMGJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.38
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione

1-[(3-chlorophenyl)methyl]piperidine-2,6-dione (PubChem CID 82129732) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
PubChem CID82129732
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2/c13-10-4-1-3-9(7-10)8-14-11(15)5-2-6-12(14)16/h1,3-4,7H,2,5-6,8H2
InChIKeyLEGXOOQWRSNMGJ-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 1474985
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(2-chloro-4-pyridinyl)methyl]azepane-2,7-dione
CID 55075648
3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36658226
1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
CID 141040925
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione (CID 82129732) is 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione?
The InChIKey is LEGXOOQWRSNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-10-4-1-3-9(7-10)8-14-11(15)5-2-6-12(14)16/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione?
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione has a molecular weight of 237.69 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 82129732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).