4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid

C15H17NO3 — CID 54982792

IUPAC4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c1-2-13(17)16-10-8-15(9-11-16,14(18)19)12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,18,19)
InChIKeyHAXNHVLKQBGHQG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.82
Rot. Bonds3

About 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid

4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid (PubChem CID 54982792) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid
PubChem CID54982792
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid
SMILESC=CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c1-2-13(17)16-10-8-15(9-11-16,14(18)19)12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,18,19)
InChIKeyHAXNHVLKQBGHQG-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid (CID 54982792) is 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid is C=CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid?
The InChIKey is HAXNHVLKQBGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-13(17)16-10-8-15(9-11-16,14(18)19)12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,18,19).
What are the key properties of 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid?
4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-prop-2-enoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 54982792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).