2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide

C24H39N5O — CID 109458992

IUPAC2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C24H39N5O/c1-3-25-24(26-17-23(30)27-21-12-8-5-9-13-21)28-22-14-15-29(19(2)16-22)18-20-10-6-4-7-11-20/h4,6-7,10-11,19,21-22H,3,5,8-9,12-18H2,1-2H3,(H,27,30)(H2,25,26,28)
InChIKeyOGKIRWWJVQZIAM-UHFFFAOYSA-N
MW413.61 g/mol
LogP3.04
Rot. Bonds7

About 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide

2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide (PubChem CID 109458992) has the molecular formula C24H39N5O and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
PubChem CID109458992
Molecular FormulaC24H39N5O
Molecular Weight413.61 g/mol
Exact Mass413.32
IUPAC Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C24H39N5O/c1-3-25-24(26-17-23(30)27-21-12-8-5-9-13-21)28-22-14-15-29(19(2)16-22)18-20-10-6-4-7-11-20/h4,6-7,10-11,19,21-22H,3,5,8-9,12-18H2,1-2H3,(H,27,30)(H2,25,26,28)
InChIKeyOGKIRWWJVQZIAM-UHFFFAOYSA-N
XLogP3.04
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide 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

2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 110986260
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043169
N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
CID 109457500
N-benzyl-3-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 109457513
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 109458980
3-[[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 109457532
tert-butyl N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]carbamate
CID 109459190
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109457833
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 109457816
2-[[[(1-benzylpyrrolidin-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111582964
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-tert-butylsulfonylethyl)-3-ethylguanidine
CID 109458700
1-(1-benzyl-2-methylpiperidin-4-yl)-2-[2-(6-chloro-3-pyridinyl)ethyl]-3-ethylguanidine;hydroiodide
CID 109457413

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide (CID 109458992) is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NC1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide?
The InChIKey is OGKIRWWJVQZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O/c1-3-25-24(26-17-23(30)27-21-12-8-5-9-13-21)28-22-14-15-29(19(2)16-22)18-20-10-6-4-7-11-20/h4,6-7,10-11,19,21-22H,3,5,8-9,12-18H2,1-2H3,(H,27,30)(H2,25,26,28).
What are the key properties of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide?
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide has a molecular weight of 413.61 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 109458992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).