N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

C14H16ClN3O2 — CID 5335973

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O2/c15-12-6-4-5-11(9-12)10-16-17-13(19)14(20)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,17,19)/b16-10+
InChIKeyQHCXGDFPPUBTKD-MHWRWJLKSA-N
MW293.75 g/mol
LogP1.80
Rot. Bonds2

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 5335973) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID5335973
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O2/c15-12-6-4-5-11(9-12)10-16-17-13(19)14(20)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,17,19)/b16-10+
InChIKeyQHCXGDFPPUBTKD-MHWRWJLKSA-N
XLogP1.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
2-(azepan-1-yl)-N-[(3-nitrophenyl)methylideneamino]-2-oxoacetamide
CID 2256302
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2263908
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333343
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 2244317
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3102338

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (CID 5335973) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is O=C(N/N=C/c1cccc(Cl)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is QHCXGDFPPUBTKD-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-6-4-5-11(9-12)10-16-17-13(19)14(20)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 293.75 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 5335973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).