1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid

C14H20N2O3 — CID 142883667

IUPAC1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid
SMILESC=C/C(=C\C(N)=C/C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-10(9-11(15)4-2)13(17)16-8-6-5-7-12(16)14(18)19/h3-4,9,12H,1,5-8,15H2,2H3,(H,18,19)/b10-9+,11-4+
InChIKeyCVDISMGQZSWLPN-LFXAUOBFSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds4

About 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid

1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid (PubChem CID 142883667) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid
PubChem CID142883667
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid
SMILESC=C/C(=C\C(N)=C/C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-10(9-11(15)4-2)13(17)16-8-6-5-7-12(16)14(18)19/h3-4,9,12H,1,5-8,15H2,2H3,(H,18,19)/b10-9+,11-4+
InChIKeyCVDISMGQZSWLPN-LFXAUOBFSA-N
XLogP1.43
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid (CID 142883667) is 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid is C=C/C(=C\C(N)=C/C)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid?
The InChIKey is CVDISMGQZSWLPN-LFXAUOBFSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10(9-11(15)4-2)13(17)16-8-6-5-7-12(16)14(18)19/h3-4,9,12H,1,5-8,15H2,2H3,(H,18,19)/b10-9+,11-4+.
What are the key properties of 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid?
1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 142883667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).