prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate

C18H25NO3 — CID 69012076

IUPACprop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
SMILESC=CCOC(=O)C(C)(C)Oc1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H25NO3/c1-4-11-21-17(20)18(2,3)22-16-9-5-7-14(12-16)15-8-6-10-19-13-15/h4-5,7,9,12,15,19H,1,6,8,10-11,13H2,2-3H3
InChIKeyZKCIGSYRJGWIPS-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.04
Rot. Bonds6

About prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate

prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate (PubChem CID 69012076) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
PubChem CID69012076
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameprop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
SMILESC=CCOC(=O)C(C)(C)Oc1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H25NO3/c1-4-11-21-17(20)18(2,3)22-16-9-5-7-14(12-16)15-8-6-10-19-13-15/h4-5,7,9,12,15,19H,1,6,8,10-11,13H2,2-3H3
InChIKeyZKCIGSYRJGWIPS-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxybutanedioic acid;methyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
CID 68882716
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
CID 117116444
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
2-methyl-2-[3-(1-phenylmethoxycarbonylpiperidin-3-yl)phenoxy]propanoic acid
CID 68883968
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate?
The IUPAC name of prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate (CID 69012076) is prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate.
What is the SMILES notation for prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate?
The canonical SMILES for prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate is C=CCOC(=O)C(C)(C)Oc1cccc(C2CCCNC2)c1.
What is the InChIKey of prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate?
The InChIKey is ZKCIGSYRJGWIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-11-21-17(20)18(2,3)22-16-9-5-7-14(12-16)15-8-6-10-19-13-15/h4-5,7,9,12,15,19H,1,6,8,10-11,13H2,2-3H3.
What are the key properties of prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate?
prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate has a molecular weight of 303.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate is sourced from PubChem (CID 69012076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).