4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide

C11H19ClN2O3 — CID 83106665

IUPAC4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O3/c1-13-11(16)9-8-17-7-6-14(9)10(15)4-2-3-5-12/h9H,2-8H2,1H3,(H,13,16)
InChIKeyKTGJWTKHZFUCMV-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.37
Rot. Bonds5

About 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide

4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83106665) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83106665
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O3/c1-13-11(16)9-8-17-7-6-14(9)10(15)4-2-3-5-12/h9H,2-8H2,1H3,(H,13,16)
InChIKeyKTGJWTKHZFUCMV-UHFFFAOYSA-N
XLogP0.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
N-methyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83100626

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide (CID 83106665) is 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)CCCCCl.
What is the InChIKey of 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KTGJWTKHZFUCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3/c1-13-11(16)9-8-17-7-6-14(9)10(15)4-2-3-5-12/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide?
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).