4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide

C12H19ClN2O3 — CID 83106386

IUPAC4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)CCCCl
InChIInChI=1S/C12H19ClN2O3/c13-5-1-2-11(16)15-6-7-18-8-10(15)12(17)14-9-3-4-9/h9-10H,1-8H2,(H,14,17)
InChIKeyZGHVMBAUKCZDBC-UHFFFAOYSA-N
MW274.75 g/mol
LogP0.51
Rot. Bonds5

About 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide

4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83106386) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83106386
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)CCCCl
InChIInChI=1S/C12H19ClN2O3/c13-5-1-2-11(16)15-6-7-18-8-10(15)12(17)14-9-3-4-9/h9-10H,1-8H2,(H,14,17)
InChIKeyZGHVMBAUKCZDBC-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminohexanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098457
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
5-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methyl-5-oxopentanoic acid
CID 83098608
N-cyclopropyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83102457
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83106386) is 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)CCCCl.
What is the InChIKey of 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is ZGHVMBAUKCZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c13-5-1-2-11(16)15-6-7-18-8-10(15)12(17)14-9-3-4-9/h9-10H,1-8H2,(H,14,17).
What are the key properties of 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83106386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).