N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide

C12H22N2O2 — CID 62654630

IUPACN-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-10(2)13-12(16)8-14-6-4-11(9-15)5-7-14/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeyKZRYIXMNWPJLTQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds5

About N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide

N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide (PubChem CID 62654630) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide
PubChem CID62654630
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-10(2)13-12(16)8-14-6-4-11(9-15)5-7-14/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeyKZRYIXMNWPJLTQ-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
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 N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide (CID 62654630) is N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide is CCC(C)NC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide?
The InChIKey is KZRYIXMNWPJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-10(2)13-12(16)8-14-6-4-11(9-15)5-7-14/h9-11H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide?
N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62654630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).