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

C25H41N5O — CID 109457500

IUPACN-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C25H41N5O/c1-3-26-25(28-15-14-27-24(31)18-21-9-7-8-10-21)29-23-13-16-30(20(2)17-23)19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,27,31)(H2,26,28,29)
InChIKeyGJCAMOXWAVUKPY-UHFFFAOYSA-N
MW427.64 g/mol
LogP3.29
Rot. Bonds9

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

N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide (PubChem CID 109457500) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
PubChem CID109457500
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC NameN-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C25H41N5O/c1-3-26-25(28-15-14-27-24(31)18-21-9-7-8-10-21)29-23-13-16-30(20(2)17-23)19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,27,31)(H2,26,28,29)
InChIKeyGJCAMOXWAVUKPY-UHFFFAOYSA-N
XLogP3.29
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]carbamate
CID 109459190
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 109458992
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-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109457833
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 109459446
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 109458980
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-tert-butylsulfonylethyl)-3-ethylguanidine
CID 109458700
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 109457816
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-tert-butylsulfinylethyl)-3-ethylguanidine;hydroiodide
CID 109457793
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 109459255
3-[[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 109457532
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 109458466

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide (CID 109457500) is N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide is CCN/C(=N\CCNC(=O)CC1CCCC1)NC1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The InChIKey is GJCAMOXWAVUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O/c1-3-26-25(28-15-14-27-24(31)18-21-9-7-8-10-21)29-23-13-16-30(20(2)17-23)19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,27,31)(H2,26,28,29).
What are the key properties of N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide has a molecular weight of 427.64 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 109457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).