(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one

C23H41NO — CID 118726075

IUPAC(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO/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/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6-,10-9-
InChIKeyUQQYNIWNANGMEW-HZJYTTRNSA-N
MW347.59 g/mol
LogP6.81
Rot. Bonds14

About (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one

(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one (PubChem CID 118726075) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one.

Molecular Properties

Compound Name(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one
PubChem CID118726075
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO/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/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6-,10-9-
InChIKeyUQQYNIWNANGMEW-HZJYTTRNSA-N
XLogP6.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.81
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'}

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Related Compounds

Pipercitine
CID 12575258
1-[(E)-2-Hexadecenoyl]piperidine
CID 53253850
N,N-Dimethyloleamide
CID 5356959
N,N-diethyl arachidonoyl amine
CID 5283409
Oleoyl ethylamide
CID 44270319
(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
Oleoylmorpholine
CID 6437597
9-Octadecenamide, N,N-dibutyl-, (9Z)-
CID 6436342
(Z)-N-propyloctadec-9-enamide
CID 44270331
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953
Pyrrolidine, 1-(1-oxo-9-octadecenyl)-, (Z)-
CID 5370392

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one?
The IUPAC name of (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one (CID 118726075) is (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one.
What is the SMILES notation for (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one?
The canonical SMILES for (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one is CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCCC1.
What is the InChIKey of (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one?
The InChIKey is UQQYNIWNANGMEW-HZJYTTRNSA-N. The full InChI is InChI=1S/C23H41NO/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/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one?
(9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one has a molecular weight of 347.59 g/mol, XLogP of 6.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-1-piperidin-1-yloctadeca-9,12-dien-1-one is sourced from PubChem (CID 118726075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).