2-(4-formylpiperidin-1-yl)-N-methylacetamide

C9H16N2O2 — CID 62654465

IUPAC2-(4-formylpiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C9H16N2O2/c1-10-9(13)6-11-4-2-8(7-12)3-5-11/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyLNMXAGVBEUSVBT-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.36
Rot. Bonds3

About 2-(4-formylpiperidin-1-yl)-N-methylacetamide

2-(4-formylpiperidin-1-yl)-N-methylacetamide (PubChem CID 62654465) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-methylacetamide
PubChem CID62654465
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(4-formylpiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C9H16N2O2/c1-10-9(13)6-11-4-2-8(7-12)3-5-11/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyLNMXAGVBEUSVBT-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.36
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 2-(4-formylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-methylacetamide (CID 62654465) is 2-(4-formylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-methylacetamide is CNC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is LNMXAGVBEUSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(13)6-11-4-2-8(7-12)3-5-11/h7-8H,2-6H2,1H3,(H,10,13).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-methylacetamide?
2-(4-formylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 184.24 g/mol, XLogP of -0.36, 3 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-methylacetamide is sourced from PubChem (CID 62654465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).