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

C19H35NO — CID 91715829

IUPAC(E)-1-piperidin-1-yltetradec-2-en-1-one
SMILESCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h13,16H,2-12,14-15,17-18H2,1H3/b16-13+
InChIKeyJHTMREUWFVSSNP-DTQAZKPQSA-N
MW293.49 g/mol
LogP5.48
Rot. Bonds11

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

(E)-1-piperidin-1-yltetradec-2-en-1-one (PubChem CID 91715829) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is (E)-1-piperidin-1-yltetradec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yltetradec-2-en-1-one
PubChem CID91715829
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name(E)-1-piperidin-1-yltetradec-2-en-1-one
SMILESCCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h13,16H,2-12,14-15,17-18H2,1H3/b16-13+
InChIKeyJHTMREUWFVSSNP-DTQAZKPQSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.49
LogP ≤ 55.48
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
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
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-Eicosenoyl]piperidine
CID 91715953

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yltetradec-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yltetradec-2-en-1-one (CID 91715829) is (E)-1-piperidin-1-yltetradec-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yltetradec-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yltetradec-2-en-1-one is CCCCCCCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yltetradec-2-en-1-one?
The InChIKey is JHTMREUWFVSSNP-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h13,16H,2-12,14-15,17-18H2,1H3/b16-13+.
What are the key properties of (E)-1-piperidin-1-yltetradec-2-en-1-one?
(E)-1-piperidin-1-yltetradec-2-en-1-one has a molecular weight of 293.49 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yltetradec-2-en-1-one is sourced from PubChem (CID 91715829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).