N-(4-formylpiperidin-4-yl)formamide

C7H12N2O2 — CID 154599912

IUPACN-(4-formylpiperidin-4-yl)formamide
SMILESO=CNC1(C=O)CCNCC1
InChIInChI=1S/C7H12N2O2/c10-5-7(9-6-11)1-3-8-4-2-7/h5-6,8H,1-4H2,(H,9,11)
InChIKeyDSHGVXJMNZOSEV-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.95
Rot. Bonds3

About N-(4-formylpiperidin-4-yl)formamide

N-(4-formylpiperidin-4-yl)formamide (PubChem CID 154599912) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(4-formylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(4-formylpiperidin-4-yl)formamide
PubChem CID154599912
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(4-formylpiperidin-4-yl)formamide
SMILESO=CNC1(C=O)CCNCC1
InChIInChI=1S/C7H12N2O2/c10-5-7(9-6-11)1-3-8-4-2-7/h5-6,8H,1-4H2,(H,9,11)
InChIKeyDSHGVXJMNZOSEV-UHFFFAOYSA-N
XLogP-0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-formylpiperidin-4-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-formylpiperidin-4-yl)formamide?
The IUPAC name of N-(4-formylpiperidin-4-yl)formamide (CID 154599912) is N-(4-formylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(4-formylpiperidin-4-yl)formamide?
The canonical SMILES for N-(4-formylpiperidin-4-yl)formamide is O=CNC1(C=O)CCNCC1.
What is the InChIKey of N-(4-formylpiperidin-4-yl)formamide?
The InChIKey is DSHGVXJMNZOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-5-7(9-6-11)1-3-8-4-2-7/h5-6,8H,1-4H2,(H,9,11).
What are the key properties of N-(4-formylpiperidin-4-yl)formamide?
N-(4-formylpiperidin-4-yl)formamide has a molecular weight of 156.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylpiperidin-4-yl)formamide is sourced from PubChem (CID 154599912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).