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

C10H16ClN3O3 — CID 43146141

IUPAC1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)NC(=O)CCCl)C1
InChIInChI=1S/C10H16ClN3O3/c11-4-3-8(15)13-10(17)14-5-1-2-7(6-14)9(12)16/h7H,1-6H2,(H2,12,16)(H,13,15,17)
InChIKeyLDTIXTIEYCNUQC-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.05
Rot. Bonds3

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

1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide (PubChem CID 43146141) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide
PubChem CID43146141
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)NC(=O)CCCl)C1
InChIInChI=1S/C10H16ClN3O3/c11-4-3-8(15)13-10(17)14-5-1-2-7(6-14)9(12)16/h7H,1-6H2,(H2,12,16)(H,13,15,17)
InChIKeyLDTIXTIEYCNUQC-UHFFFAOYSA-N
XLogP0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(3-chloropropanoyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide (CID 43146141) is 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide is NC(=O)C1CCCN(C(=O)NC(=O)CCCl)C1.
What is the InChIKey of 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide?
The InChIKey is LDTIXTIEYCNUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c11-4-3-8(15)13-10(17)14-5-1-2-7(6-14)9(12)16/h7H,1-6H2,(H2,12,16)(H,13,15,17).
What are the key properties of 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide?
1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide has a molecular weight of 261.71 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloropropanoyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 43146141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).