(E)-1-piperidin-1-ylicos-2-en-1-one

C25H47NO — CID 91715953

IUPAC(E)-1-piperidin-1-ylicos-2-en-1-one
SMILESCCCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C25H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h19,22H,2-18,20-21,23-24H2,1H3/b22-19+
InChIKeyLWZQBNFYVPFFND-ZBJSNUHESA-N
MW377.66 g/mol
LogP7.82
Rot. Bonds17

About (E)-1-piperidin-1-ylicos-2-en-1-one

(E)-1-piperidin-1-ylicos-2-en-1-one (PubChem CID 91715953) has the molecular formula C25H47NO and a molecular weight of 377.66 g/mol. Its IUPAC name is (E)-1-piperidin-1-ylicos-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-ylicos-2-en-1-one
PubChem CID91715953
Molecular FormulaC25H47NO
Molecular Weight377.66 g/mol
Exact Mass377.37
IUPAC Name(E)-1-piperidin-1-ylicos-2-en-1-one
SMILESCCCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C25H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h19,22H,2-18,20-21,23-24H2,1H3/b22-19+
InChIKeyLWZQBNFYVPFFND-ZBJSNUHESA-N
XLogP7.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-1-piperidin-1-ylicos-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-ylicos-2-en-1-one (CID 91715953) is (E)-1-piperidin-1-ylicos-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-ylicos-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-ylicos-2-en-1-one is CCCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-ylicos-2-en-1-one?
The InChIKey is LWZQBNFYVPFFND-ZBJSNUHESA-N. The full InChI is InChI=1S/C25H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h19,22H,2-18,20-21,23-24H2,1H3/b22-19+.
What are the key properties of (E)-1-piperidin-1-ylicos-2-en-1-one?
(E)-1-piperidin-1-ylicos-2-en-1-one has a molecular weight of 377.66 g/mol, XLogP of 7.82, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-ylicos-2-en-1-one is sourced from PubChem (CID 91715953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).