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

C13H22N2O4 — CID 114264997

IUPAC2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESC=CCCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-4-7-14-13(18)15-8-5-11(6-9-15)19-10-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17)
InChIKeyKKJOECNNEYGOHU-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.23
Rot. Bonds7

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

2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 114264997) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID114264997
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESC=CCCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-4-7-14-13(18)15-8-5-11(6-9-15)19-10-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17)
InChIKeyKKJOECNNEYGOHU-UHFFFAOYSA-N
XLogP1.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
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
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 114264997) is 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid is C=CCCCNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is KKJOECNNEYGOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-3-4-7-14-13(18)15-8-5-11(6-9-15)19-10-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114264997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).