N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide

C19H30N4O2 — CID 111958483

IUPACN-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1)N1CCC(OCC)CC1
InChIInChI=1S/C19H30N4O2/c1-3-20-19(23-14-10-17(11-15-23)25-4-2)22-13-12-21-18(24)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyNTPREGAQOYAKKN-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.88
Rot. Bonds7

About N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide

N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide (PubChem CID 111958483) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
PubChem CID111958483
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1)N1CCC(OCC)CC1
InChIInChI=1S/C19H30N4O2/c1-3-20-19(23-14-10-17(11-15-23)25-4-2)22-13-12-21-18(24)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyNTPREGAQOYAKKN-UHFFFAOYSA-N
XLogP1.88
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
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

N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 109428176
N-butyl-4-[[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111959557
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109427883
ethyl 1-[N'-(2-benzamidoethyl)-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993628
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 109427882
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 111959483
ethyl 1-[N-ethyl-N'-[2-[(3-methylbenzoyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157641
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111722878
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide (CID 111958483) is N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide is CCN/C(=N\CCNC(=O)c1ccccc1)N1CCC(OCC)CC1.
What is the InChIKey of N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide?
The InChIKey is NTPREGAQOYAKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-20-19(23-14-10-17(11-15-23)25-4-2)22-13-12-21-18(24)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide?
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide has a molecular weight of 346.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide is sourced from PubChem (CID 111958483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).