acetaldehyde;1,6-dimethylpiperidine-3-carboxamide

C10H20N2O2 — CID 156717131

IUPACacetaldehyde;1,6-dimethylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C.CC=O
InChIInChI=1S/C8H16N2O.C2H4O/c1-6-3-4-7(8(9)11)5-10(6)2;1-2-3/h6-7H,3-5H2,1-2H3,(H2,9,11);2H,1H3
InChIKeyLTUVMMLWXJYKPQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds1

About acetaldehyde;1,6-dimethylpiperidine-3-carboxamide

acetaldehyde;1,6-dimethylpiperidine-3-carboxamide (PubChem CID 156717131) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is acetaldehyde;1,6-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Nameacetaldehyde;1,6-dimethylpiperidine-3-carboxamide
PubChem CID156717131
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameacetaldehyde;1,6-dimethylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C.CC=O
InChIInChI=1S/C8H16N2O.C2H4O/c1-6-3-4-7(8(9)11)5-10(6)2;1-2-3/h6-7H,3-5H2,1-2H3,(H2,9,11);2H,1H3
InChIKeyLTUVMMLWXJYKPQ-UHFFFAOYSA-N
XLogP0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1,6-dimethylpiperidine-3-carboxamide?
The IUPAC name of acetaldehyde;1,6-dimethylpiperidine-3-carboxamide (CID 156717131) is acetaldehyde;1,6-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for acetaldehyde;1,6-dimethylpiperidine-3-carboxamide?
The canonical SMILES for acetaldehyde;1,6-dimethylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C.CC=O.
What is the InChIKey of acetaldehyde;1,6-dimethylpiperidine-3-carboxamide?
The InChIKey is LTUVMMLWXJYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H4O/c1-6-3-4-7(8(9)11)5-10(6)2;1-2-3/h6-7H,3-5H2,1-2H3,(H2,9,11);2H,1H3.
What are the key properties of acetaldehyde;1,6-dimethylpiperidine-3-carboxamide?
acetaldehyde;1,6-dimethylpiperidine-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1,6-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 156717131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).