1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione

C12H20ClNO2 — CID 89315498

IUPAC1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(CCCCCl)C(=O)C1
InChIInChI=1S/C12H20ClNO2/c1-3-12(2)8-10(15)14(11(16)9-12)7-5-4-6-13/h3-9H2,1-2H3
InChIKeyMSVKNGXKRBAREZ-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione

1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione (PubChem CID 89315498) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione
PubChem CID89315498
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(CCCCCl)C(=O)C1
InChIInChI=1S/C12H20ClNO2/c1-3-12(2)8-10(15)14(11(16)9-12)7-5-4-6-13/h3-9H2,1-2H3
InChIKeyMSVKNGXKRBAREZ-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
CID 79937288
1-(6-chlorohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 13177933
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
1-(3-chloropropyl)piperazine-2,6-dione
CID 21245750
2-(4-chlorobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512946
5-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 57107781
1-pentylazetidine-2,4-dione
CID 69124184
2-(5-chloropentyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512967
3-(6-chlorohexyl)-1,3-thiazolidine-2,4-dione
CID 62228177

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione (CID 89315498) is 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione is CCC1(C)CC(=O)N(CCCCCl)C(=O)C1.
What is the InChIKey of 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The InChIKey is MSVKNGXKRBAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-3-12(2)8-10(15)14(11(16)9-12)7-5-4-6-13/h3-9H2,1-2H3.
What are the key properties of 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione?
1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione has a molecular weight of 245.75 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 89315498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).