2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide

C18H26N2O2 — CID 89167069

IUPAC2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-4-11-20(16-9-12-19(2)13-10-16)18(21)14-15-5-7-17(22-3)8-6-15/h4-8,16H,1,9-14H2,2-3H3
InChIKeySJNLMWRRAHOTLT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide

2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide (PubChem CID 89167069) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
PubChem CID89167069
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-4-11-20(16-9-12-19(2)13-10-16)18(21)14-15-5-7-17(22-3)8-6-15/h4-8,16H,1,9-14H2,2-3H3
InChIKeySJNLMWRRAHOTLT-UHFFFAOYSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 23512954
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 69242005
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane
CID 142909540
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
CID 69013818
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10139738
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-2-yl)acetamide
CID 91318413
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
CID 23339060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide (CID 89167069) is 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C)CC1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide?
The InChIKey is SJNLMWRRAHOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-11-20(16-9-12-19(2)13-10-16)18(21)14-15-5-7-17(22-3)8-6-15/h4-8,16H,1,9-14H2,2-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide?
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 89167069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).