2-(1-dec-2-enoylpiperidin-4-yl)acetic acid

C17H29NO3 — CID 123923519

IUPAC2-(1-dec-2-enoylpiperidin-4-yl)acetic acid
SMILESCCCCCCCC=CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(11-13-18)14-17(20)21/h8-9,15H,2-7,10-14H2,1H3,(H,20,21)
InChIKeyVGGURGPETUAVOZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.62
Rot. Bonds9

About 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid

2-(1-dec-2-enoylpiperidin-4-yl)acetic acid (PubChem CID 123923519) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-dec-2-enoylpiperidin-4-yl)acetic acid
PubChem CID123923519
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(1-dec-2-enoylpiperidin-4-yl)acetic acid
SMILESCCCCCCCC=CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(11-13-18)14-17(20)21/h8-9,15H,2-7,10-14H2,1H3,(H,20,21)
InChIKeyVGGURGPETUAVOZ-UHFFFAOYSA-N
XLogP3.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid (CID 123923519) is 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid is CCCCCCCC=CC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid?
The InChIKey is VGGURGPETUAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(11-13-18)14-17(20)21/h8-9,15H,2-7,10-14H2,1H3,(H,20,21).
What are the key properties of 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid?
2-(1-dec-2-enoylpiperidin-4-yl)acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dec-2-enoylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 123923519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).