4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide

C18H26N3O3+ — CID 7411602

IUPAC4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide
SMILESC=CCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-10-19-17(22)13-21-11-8-15(9-12-21)20-18(23)14-4-6-16(24-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,19,22)(H,20,23)/p+1
InChIKeyLPFCDELKGBOBAA-UHFFFAOYSA-O
MW332.42 g/mol
LogP-0.23
Rot. Bonds7

About 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide

4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide (PubChem CID 7411602) has the molecular formula C18H26N3O3+ and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide
PubChem CID7411602
Molecular FormulaC18H26N3O3+
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide
SMILESC=CCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-10-19-17(22)13-21-11-8-15(9-12-21)20-18(23)14-4-6-16(24-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,19,22)(H,20,23)/p+1
InChIKeyLPFCDELKGBOBAA-UHFFFAOYSA-O
XLogP-0.23
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide
CID 7411787
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide (CID 7411602) is 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide is C=CCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide?
The InChIKey is LPFCDELKGBOBAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3/c1-3-10-19-17(22)13-21-11-8-15(9-12-21)20-18(23)14-4-6-16(24-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide?
4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide has a molecular weight of 332.42 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide is sourced from PubChem (CID 7411602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).