3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide

C22H28N4O — CID 111071160

IUPAC3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O/c1-2-23-21(27)19-11-9-10-18(16-19)17-24-22(26-14-7-4-8-15-26)25-20-12-5-3-6-13-20/h3,5-6,9-13,16H,2,4,7-8,14-15,17H2,1H3,(H,23,27)(H,24,25)
InChIKeyOEHSIUFVLSRRAI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.89
Rot. Bonds5

About 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide

3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide (PubChem CID 111071160) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
PubChem CID111071160
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O/c1-2-23-21(27)19-11-9-10-18(16-19)17-24-22(26-14-7-4-8-15-26)25-20-12-5-3-6-13-20/h3,5-6,9-13,16H,2,4,7-8,14-15,17H2,1H3,(H,23,27)(H,24,25)
InChIKeyOEHSIUFVLSRRAI-UHFFFAOYSA-N
XLogP3.89
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide
CID 110955462
methyl 1-[N-ethyl-N'-[[3-(ethylcarbamoyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253537
N-ethyl-3-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111143934
N-ethyl-3-[[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]methyl]benzamide
CID 111723799
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 111048138
N-ethyl-3-[[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111148264
3-[[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 109441930
N-ethyl-3-[[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111550813
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
3-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109414372

Frequently Asked Questions

What is the IUPAC name of 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide (CID 111071160) is 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1.
What is the InChIKey of 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide?
The InChIKey is OEHSIUFVLSRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-23-21(27)19-11-9-10-18(16-19)17-24-22(26-14-7-4-8-15-26)25-20-12-5-3-6-13-20/h3,5-6,9-13,16H,2,4,7-8,14-15,17H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide?
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 111071160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).