1-methyl-2-oxopiperidine-4-carbonyl chloride

C7H10ClNO2 — CID 91691062

IUPAC1-methyl-2-oxopiperidine-4-carbonyl chloride
SMILESCN1CCC(C(=O)Cl)CC1=O
InChIInChI=1S/C7H10ClNO2/c1-9-3-2-5(7(8)11)4-6(9)10/h5H,2-4H2,1H3
InChIKeyKTLMEOQOSAKIER-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.62
Rot. Bonds1

About 1-methyl-2-oxopiperidine-4-carbonyl chloride

1-methyl-2-oxopiperidine-4-carbonyl chloride (PubChem CID 91691062) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 1-methyl-2-oxopiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-methyl-2-oxopiperidine-4-carbonyl chloride
PubChem CID91691062
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name1-methyl-2-oxopiperidine-4-carbonyl chloride
SMILESCN1CCC(C(=O)Cl)CC1=O
InChIInChI=1S/C7H10ClNO2/c1-9-3-2-5(7(8)11)4-6(9)10/h5H,2-4H2,1H3
InChIKeyKTLMEOQOSAKIER-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Acetylpiperidine-4-carbonyl chloride
CID 100950
1-Formylpiperidine-4-carbonyl chloride
CID 13224256
1-(2-Fluoroacetyl)piperidine-4-carbonyl chloride
CID 58282561
Ethane;1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
CID 90818476
3-(1-Acetyl-4-piperidinyl)propionyl chloride
CID 10465951
Piperidine-1,4-dicarbonyl chloride
CID 13548158
1-Acetyl-4-piperidineacetyl chloride
CID 20288065
1-Acetylpiperidine-3-carbonyl chloride
CID 24263496
1-Acetylpiperidine-4-carbonyl chloride hydrochloride
CID 53430810
4-Methyl-2-oxo-piperidine-1-carboxylic acid chloride
CID 54018391
1-(2-Iodoacetyl)piperidine-4-carbonyl chloride
CID 87812210
1-Acetyl-4-methylpiperidine-4-carbonyl chloride
CID 150608884

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopiperidine-4-carbonyl chloride?
The IUPAC name of 1-methyl-2-oxopiperidine-4-carbonyl chloride (CID 91691062) is 1-methyl-2-oxopiperidine-4-carbonyl chloride.
What is the SMILES notation for 1-methyl-2-oxopiperidine-4-carbonyl chloride?
The canonical SMILES for 1-methyl-2-oxopiperidine-4-carbonyl chloride is CN1CCC(C(=O)Cl)CC1=O.
What is the InChIKey of 1-methyl-2-oxopiperidine-4-carbonyl chloride?
The InChIKey is KTLMEOQOSAKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-9-3-2-5(7(8)11)4-6(9)10/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-2-oxopiperidine-4-carbonyl chloride?
1-methyl-2-oxopiperidine-4-carbonyl chloride has a molecular weight of 175.61 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxopiperidine-4-carbonyl chloride is sourced from PubChem (CID 91691062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).