2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid

C16H19NO4 — CID 120550130

IUPAC2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
SMILESC=CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)CC1
InChIInChI=1S/C16H19NO4/c1-2-12-6-8-17(9-7-12)16(20)13-4-3-5-14(10-13)21-11-15(18)19/h2-5,10,12H,1,6-9,11H2,(H,18,19)
InChIKeyOJCOBMRWQMZIAQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid

2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid (PubChem CID 120550130) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
PubChem CID120550130
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
SMILESC=CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)CC1
InChIInChI=1S/C16H19NO4/c1-2-12-6-8-17(9-7-12)16(20)13-4-3-5-14(10-13)21-11-15(18)19/h2-5,10,12H,1,6-9,11H2,(H,18,19)
InChIKeyOJCOBMRWQMZIAQ-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.19
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-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenoxy]acetic acid
CID 119182562
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid (CID 120550130) is 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid is C=CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)CC1.
What is the InChIKey of 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid?
The InChIKey is OJCOBMRWQMZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-12-6-8-17(9-7-12)16(20)13-4-3-5-14(10-13)21-11-15(18)19/h2-5,10,12H,1,6-9,11H2,(H,18,19).
What are the key properties of 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid?
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 120550130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).