1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide

C10H16ClN3O3 — CID 43146142

IUPAC1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H16ClN3O3/c1-6(11)9(16)13-10(17)14-4-2-3-7(5-14)8(12)15/h6-7H,2-5H2,1H3,(H2,12,15)(H,13,16,17)
InChIKeyAYDXNJUKWWISFP-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.05
Rot. Bonds2

About 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide

1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide (PubChem CID 43146142) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide
PubChem CID43146142
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C10H16ClN3O3/c1-6(11)9(16)13-10(17)14-4-2-3-7(5-14)8(12)15/h6-7H,2-5H2,1H3,(H2,12,15)(H,13,16,17)
InChIKeyAYDXNJUKWWISFP-UHFFFAOYSA-N
XLogP0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide (CID 43146142) is 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide is CC(Cl)C(=O)NC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide?
The InChIKey is AYDXNJUKWWISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-6(11)9(16)13-10(17)14-4-2-3-7(5-14)8(12)15/h6-7H,2-5H2,1H3,(H2,12,15)(H,13,16,17).
What are the key properties of 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide?
1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide has a molecular weight of 261.71 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 43146142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).