2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid

C11H18N2O4 — CID 63875053

IUPAC2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESC=CCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-5-12-11(16)13-6-3-9(4-7-13)17-8-10(14)15/h2,9H,1,3-8H2,(H,12,16)(H,14,15)
InChIKeyNYXBFQGVCPBQQY-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.45
Rot. Bonds5

About 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63875053) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63875053
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESC=CCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-5-12-11(16)13-6-3-9(4-7-13)17-8-10(14)15/h2,9H,1,3-8H2,(H,12,16)(H,14,15)
InChIKeyNYXBFQGVCPBQQY-UHFFFAOYSA-N
XLogP0.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
CID 121197691
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 63875053) is 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid is C=CCNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is NYXBFQGVCPBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-5-12-11(16)13-6-3-9(4-7-13)17-8-10(14)15/h2,9H,1,3-8H2,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).