N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide

C19H30N4O2 — CID 111959723

IUPACN-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
SMILESCCOC1CCN(/C(=N/C)NCCNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-25-17-8-12-23(13-9-17)19(20-3)22-11-10-21-18(24)16-7-5-6-15(2)14-16/h5-7,14,17H,4,8-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBBCYKIWYGIRXGO-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide

N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide (PubChem CID 111959723) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
PubChem CID111959723
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
SMILESCCOC1CCN(/C(=N/C)NCCNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-25-17-8-12-23(13-9-17)19(20-3)22-11-10-21-18(24)16-7-5-6-15(2)14-16/h5-7,14,17H,4,8-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBBCYKIWYGIRXGO-UHFFFAOYSA-N
XLogP1.80
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.80
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-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111959713
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111958945
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
N-[2-[[C-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111185654
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 109487246
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 109487245
N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111168079
3-methoxy-N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111211698
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483
3-methyl-N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 111220169
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 109428176

Frequently Asked Questions

What is the IUPAC name of N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide (CID 111959723) is N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide is CCOC1CCN(/C(=N/C)NCCNC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide?
The InChIKey is BBCYKIWYGIRXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-25-17-8-12-23(13-9-17)19(20-3)22-11-10-21-18(24)16-7-5-6-15(2)14-16/h5-7,14,17H,4,8-13H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide?
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 111959723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).