2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide

C18H34N4O — CID 111211589

IUPAC2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCC(C)CC1
InChIInChI=1S/C18H34N4O/c1-3-19-18(22-12-8-15(2)9-13-22)21-11-10-20-17(23)14-16-6-4-5-7-16/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyACBVCGISJBVWIR-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.38
Rot. Bonds6

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

2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide (PubChem CID 111211589) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
PubChem CID111211589
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCC(C)CC1
InChIInChI=1S/C18H34N4O/c1-3-19-18(22-12-8-15(2)9-13-22)21-11-10-20-17(23)14-16-6-4-5-7-16/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyACBVCGISJBVWIR-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
CID 110956101
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111212075
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
2-cyclopentyl-N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111269618
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111212076
tert-butyl N-[3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]carbamate
CID 111212217
2-cyclohexyl-N-[2-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]ethyl]acetamide
CID 109434753
N-ethyl-4-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111211907
methyl 5-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]pentanoate
CID 111209842
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
CID 111160513
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide (CID 111211589) is 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide is CCN/C(=N\CCNC(=O)CC1CCCC1)N1CCC(C)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide?
The InChIKey is ACBVCGISJBVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-3-19-18(22-12-8-15(2)9-13-22)21-11-10-20-17(23)14-16-6-4-5-7-16/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide?
2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide has a molecular weight of 322.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 111211589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).