2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide

C15H28N2O2 — CID 62654270

IUPAC2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-13(2)16-15(19)11-17-9-7-14(12-18)8-10-17/h12-14H,3-11H2,1-2H3,(H,16,19)
InChIKeyDRWDRYLEMCHLEU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.98
Rot. Bonds8

About 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide

2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide (PubChem CID 62654270) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide
PubChem CID62654270
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-13(2)16-15(19)11-17-9-7-14(12-18)8-10-17/h12-14H,3-11H2,1-2H3,(H,16,19)
InChIKeyDRWDRYLEMCHLEU-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide (CID 62654270) is 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide?
The InChIKey is DRWDRYLEMCHLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-5-6-13(2)16-15(19)11-17-9-7-14(12-18)8-10-17/h12-14H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide?
2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)-N-heptan-2-ylacetamide is sourced from PubChem (CID 62654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).