N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide

C19H30N4O2 — CID 111958471

IUPACN-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
SMILESCCOC1CCN(/C(=N/C)NCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-25-17-10-14-23(15-11-17)19(20-2)22-13-7-12-21-18(24)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyWPRGMPXFDZNGPP-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide

N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide (PubChem CID 111958471) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
PubChem CID111958471
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
SMILESCCOC1CCN(/C(=N/C)NCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-25-17-10-14-23(15-11-17)19(20-2)22-13-7-12-21-18(24)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyWPRGMPXFDZNGPP-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-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111959723
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111958945
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111959713
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959165
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-methylpropanamide
CID 111959325
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 111960285
N-butyl-4-[[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111959557

Frequently Asked Questions

What is the IUPAC name of N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide?
The IUPAC name of N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide (CID 111958471) is N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide is CCOC1CCN(/C(=N/C)NCCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide?
The InChIKey is WPRGMPXFDZNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-25-17-10-14-23(15-11-17)19(20-2)22-13-7-12-21-18(24)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide?
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]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-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide is sourced from PubChem (CID 111958471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).