2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide

C17H24N2O2 — CID 16667986

IUPAC2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-10-18-17(20)13-19-11-8-15(9-12-19)14-4-6-16(21-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,18,20)
InChIKeyBBQHSRWJWFPJNX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 16667986) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID16667986
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-10-18-17(20)13-19-11-8-15(9-12-19)14-4-6-16(21-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,18,20)
InChIKeyBBQHSRWJWFPJNX-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
2-[4-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34921074
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]acetamide
CID 16674311
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 16667986) is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is BBQHSRWJWFPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-18-17(20)13-19-11-8-15(9-12-19)14-4-6-16(21-2)7-5-14/h3-7,15H,1,8-13H2,2H3,(H,18,20).
What are the key properties of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 288.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 16667986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).