N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide

C26H36N4O2 — CID 109428253

IUPACN,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(CC)CC)cc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c1-4-27-26(30-18-16-24(17-19-30)32-23-10-8-7-9-11-23)28-20-21-12-14-22(15-13-21)25(31)29(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3,(H,27,28)
InChIKeyJUXQTFLWLULGBV-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.18
Rot. Bonds8

About N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide

N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide (PubChem CID 109428253) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide
PubChem CID109428253
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(CC)CC)cc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C26H36N4O2/c1-4-27-26(30-18-16-24(17-19-30)32-23-10-8-7-9-11-23)28-20-21-12-14-22(15-13-21)25(31)29(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3,(H,27,28)
InChIKeyJUXQTFLWLULGBV-UHFFFAOYSA-N
XLogP4.18
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzoate;hydroiodide
CID 109425761
N-ethyl-N'-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426987
3-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]-N-propylbenzamide
CID 109426222
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
4-[[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111152426
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
4-[[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111152425
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427565
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426957

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide (CID 109428253) is N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1ccc(C(=O)N(CC)CC)cc1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide?
The InChIKey is JUXQTFLWLULGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-4-27-26(30-18-16-24(17-19-30)32-23-10-8-7-9-11-23)28-20-21-12-14-22(15-13-21)25(31)29(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3,(H,27,28).
What are the key properties of N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide?
N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide has a molecular weight of 436.60 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 109428253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).