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

C23H43NO — CID 12575258

IUPAC(E)-1-piperidin-1-yloctadec-2-en-1-one
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyPPSREOHNKFETQU-LVZFUZTISA-N
MW349.60 g/mol
LogP7.04
Rot. Bonds15

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

(E)-1-piperidin-1-yloctadec-2-en-1-one (PubChem CID 12575258) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is (E)-1-piperidin-1-yloctadec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yloctadec-2-en-1-one
PubChem CID12575258
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name(E)-1-piperidin-1-yloctadec-2-en-1-one
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyPPSREOHNKFETQU-LVZFUZTISA-N
XLogP7.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 57.04
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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Related Compounds

N-Arachidonylmaleimide
CID 25021164
(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
Pipereicosalidine
CID 101634668
N-Oleylmaleimide
CID 45483976
(2E,4Z-Decadienoyl)piperidine
CID 21634287
Neopellitorine B
CID 11118018
(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yloctadec-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yloctadec-2-en-1-one (CID 12575258) is (E)-1-piperidin-1-yloctadec-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yloctadec-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yloctadec-2-en-1-one is CCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yloctadec-2-en-1-one?
The InChIKey is PPSREOHNKFETQU-LVZFUZTISA-N. The full InChI is InChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+.
What are the key properties of (E)-1-piperidin-1-yloctadec-2-en-1-one?
(E)-1-piperidin-1-yloctadec-2-en-1-one has a molecular weight of 349.60 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yloctadec-2-en-1-one is sourced from PubChem (CID 12575258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).