1-piperidin-1-yloctadec-2-ene-1,12-dione

C23H41NO2 — CID 163000737

IUPAC1-piperidin-1-yloctadec-2-ene-1,12-dione
SMILESCCCCCCC(=O)CCCCCCCCC=CC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h14,19H,2-13,15-18,20-21H2,1H3
InChIKeyGRKRIZFIWHHTAJ-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.22
Rot. Bonds15

About 1-piperidin-1-yloctadec-2-ene-1,12-dione

1-piperidin-1-yloctadec-2-ene-1,12-dione (PubChem CID 163000737) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-piperidin-1-yloctadec-2-ene-1,12-dione.

Molecular Properties

Compound Name1-piperidin-1-yloctadec-2-ene-1,12-dione
PubChem CID163000737
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name1-piperidin-1-yloctadec-2-ene-1,12-dione
SMILESCCCCCCC(=O)CCCCCCCCC=CC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h14,19H,2-13,15-18,20-21H2,1H3
InChIKeyGRKRIZFIWHHTAJ-UHFFFAOYSA-N
XLogP6.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.22
H-Bond Donors ≤ 50
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 1-piperidin-1-yloctadec-2-ene-1,12-dione?
The IUPAC name of 1-piperidin-1-yloctadec-2-ene-1,12-dione (CID 163000737) is 1-piperidin-1-yloctadec-2-ene-1,12-dione.
What is the SMILES notation for 1-piperidin-1-yloctadec-2-ene-1,12-dione?
The canonical SMILES for 1-piperidin-1-yloctadec-2-ene-1,12-dione is CCCCCCC(=O)CCCCCCCCC=CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yloctadec-2-ene-1,12-dione?
The InChIKey is GRKRIZFIWHHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)24-20-15-11-16-21-24/h14,19H,2-13,15-18,20-21H2,1H3.
What are the key properties of 1-piperidin-1-yloctadec-2-ene-1,12-dione?
1-piperidin-1-yloctadec-2-ene-1,12-dione has a molecular weight of 363.59 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yloctadec-2-ene-1,12-dione is sourced from PubChem (CID 163000737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).