N-[(1-ethylpiperidin-4-ylidene)amino]acetamide

C9H17N3O — CID 4072192

IUPACN-[(1-ethylpiperidin-4-ylidene)amino]acetamide
SMILESCCN1CCC(=NNC(C)=O)CC1
InChIInChI=1S/C9H17N3O/c1-3-12-6-4-9(5-7-12)11-10-8(2)13/h3-7H2,1-2H3,(H,10,13)
InChIKeyOPQQQXLZJOKJHG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.59
Rot. Bonds2

About N-[(1-ethylpiperidin-4-ylidene)amino]acetamide

N-[(1-ethylpiperidin-4-ylidene)amino]acetamide (PubChem CID 4072192) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-ylidene)amino]acetamide
PubChem CID4072192
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[(1-ethylpiperidin-4-ylidene)amino]acetamide
SMILESCCN1CCC(=NNC(C)=O)CC1
InChIInChI=1S/C9H17N3O/c1-3-12-6-4-9(5-7-12)11-10-8(2)13/h3-7H2,1-2H3,(H,10,13)
InChIKeyOPQQQXLZJOKJHG-UHFFFAOYSA-N
XLogP0.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]acetamide (CID 4072192) is N-[(1-ethylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-ylidene)amino]acetamide is CCN1CCC(=NNC(C)=O)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is OPQQQXLZJOKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-12-6-4-9(5-7-12)11-10-8(2)13/h3-7H2,1-2H3,(H,10,13).
What are the key properties of N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
N-[(1-ethylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 4072192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).