acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide

C12H22N2O4 — CID 174617959

IUPACacetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide
SMILESCC(=O)OC(=O)CN1CCCCC1.CN(C)C=O
InChIInChI=1S/C9H15NO3.C3H7NO/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;1-4(2)3-5/h2-7H2,1H3;3H,1-2H3
InChIKeyPMUQHAZDTKUCOI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.27
Rot. Bonds3

About acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide

acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide (PubChem CID 174617959) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide.

Molecular Properties

Compound Nameacetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide
PubChem CID174617959
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameacetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide
SMILESCC(=O)OC(=O)CN1CCCCC1.CN(C)C=O
InChIInChI=1S/C9H15NO3.C3H7NO/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;1-4(2)3-5/h2-7H2,1H3;3H,1-2H3
InChIKeyPMUQHAZDTKUCOI-UHFFFAOYSA-N
XLogP0.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide?
The IUPAC name of acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide (CID 174617959) is acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide.
What is the SMILES notation for acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide?
The canonical SMILES for acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide is CC(=O)OC(=O)CN1CCCCC1.CN(C)C=O.
What is the InChIKey of acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide?
The InChIKey is PMUQHAZDTKUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C3H7NO/c1-8(11)13-9(12)7-10-5-3-2-4-6-10;1-4(2)3-5/h2-7H2,1H3;3H,1-2H3.
What are the key properties of acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide?
acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide has a molecular weight of 258.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-piperidin-1-ylacetate;N,N-dimethylformamide is sourced from PubChem (CID 174617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).