N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide

C23H42N4O3 — CID 109449029

IUPACN-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CCCCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H42N4O3/c1-2-24-23(26-14-13-25-22(28)19-8-4-3-5-9-19)27-15-11-20(12-16-27)30-18-21-10-6-7-17-29-21/h19-21H,2-18H2,1H3,(H,24,26)(H,25,28)
InChIKeyKHIZSTNNTFGHKB-UHFFFAOYSA-N
MW422.61 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide

N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide (PubChem CID 109449029) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
PubChem CID109449029
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC NameN-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CCCCC1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H42N4O3/c1-2-24-23(26-14-13-25-22(28)19-8-4-3-5-9-19)27-15-11-20(12-16-27)30-18-21-10-6-7-17-29-21/h19-21H,2-18H2,1H3,(H,24,26)(H,25,28)
InChIKeyKHIZSTNNTFGHKB-UHFFFAOYSA-N
XLogP2.70
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]acetamide
CID 109447633
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N-ethyl-N'-(2-methylsulfonylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447116
N'-[3-(dipropylamino)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449459
N'-[4-(diethylamino)butyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449991
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450349
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 109447570
N'-[2-[cyclohexyl(methyl)amino]ethyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447682
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447112
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide (CID 109449029) is N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide is CCN/C(=N\CCNC(=O)C1CCCCC1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is KHIZSTNNTFGHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-2-24-23(26-14-13-25-22(28)19-8-4-3-5-9-19)27-15-11-20(12-16-27)30-18-21-10-6-7-17-29-21/h19-21H,2-18H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 422.61 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 109449029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).