2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid

C10H15NO4 — CID 63869209

IUPAC2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
SMILESC=CC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H15NO4/c1-2-9(12)11-5-3-8(4-6-11)15-7-10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyUKFQSISPPHSJDC-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.26
Rot. Bonds4

About 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid

2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid (PubChem CID 63869209) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
PubChem CID63869209
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
SMILESC=CC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H15NO4/c1-2-9(12)11-5-3-8(4-6-11)15-7-10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyUKFQSISPPHSJDC-UHFFFAOYSA-N
XLogP0.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63877317
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid (CID 63869209) is 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid is C=CC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid?
The InChIKey is UKFQSISPPHSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-9(12)11-5-3-8(4-6-11)15-7-10(13)14/h2,8H,1,3-7H2,(H,13,14).
What are the key properties of 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid?
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid has a molecular weight of 213.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 63869209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).