Pipereicosalidine

C25H43NO — CID 101634668

IUPAC(2E,4E,16Z)-1-piperidin-1-ylicosa-2,4,16-trien-1-one
SMILESCCC/C=C\CCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C25H43NO/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/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+
InChIKeyMKEWSYYOWWKTAK-AEPHKGLBSA-N
MW373.60 g/mol
LogP8.60
Rot. Bonds15

About Pipereicosalidine

Pipereicosalidine (PubChem CID 101634668) has the molecular formula C25H43NO and a molecular weight of 373.60 g/mol. Its IUPAC name is (2E,4E,16Z)-1-piperidin-1-ylicosa-2,4,16-trien-1-one.

Molecular Properties

Compound NamePipereicosalidine
PubChem CID101634668
Molecular FormulaC25H43NO
Molecular Weight373.60 g/mol
Exact Mass373.33
IUPAC Name(2E,4E,16Z)-1-piperidin-1-ylicosa-2,4,16-trien-1-one
SMILESCCC/C=C\CCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C25H43NO/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/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+
InChIKeyMKEWSYYOWWKTAK-AEPHKGLBSA-N
XLogP8.60
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity430

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.60
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one
CID 10999431
Pipercitine
CID 12575258
(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
CID 11130083
1-[(E)-2-Hexadecenoyl]piperidine
CID 53253850
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
CID 10966538
N-Oleylmaleimide
CID 45483976
(2E,4Z-Decadienoyl)piperidine
CID 21634287
(2E,4E)-1-(Pyrrolidin-1-yl)tetradeca-2,4-dien-1-one
CID 10923868
Neopellitorine B
CID 11118018
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953

Frequently Asked Questions

What is the IUPAC name of Pipereicosalidine?
The IUPAC name of Pipereicosalidine (CID 101634668) is (2E,4E,16Z)-1-piperidin-1-ylicosa-2,4,16-trien-1-one.
What is the SMILES notation for Pipereicosalidine?
The canonical SMILES for Pipereicosalidine is CCC/C=C\CCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of Pipereicosalidine?
The InChIKey is MKEWSYYOWWKTAK-AEPHKGLBSA-N. The full InChI is InChI=1S/C25H43NO/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/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+.
What are the key properties of Pipereicosalidine?
Pipereicosalidine has a molecular weight of 373.60 g/mol, XLogP of 8.60, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Pipereicosalidine is sourced from PubChem (CID 101634668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).