N-oleoyl-4-ethylpiperidine

C25H47NO — CID 129727935

IUPAC(Z)-1-(4-ethylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCC(CC1)CC
InChIInChI=1S/C25H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-20-24(4-2)21-23-26/h11-12,24H,3-10,13-23H2,1-2H3/b12-11-
InChIKeyUKWCXLDCZAFTOR-QXMHVHEDSA-N
MW377.60 g/mol
LogP9.00
Rot. Bonds16

About N-oleoyl-4-ethylpiperidine

N-oleoyl-4-ethylpiperidine (PubChem CID 129727935) has the molecular formula C25H47NO and a molecular weight of 377.60 g/mol. Its IUPAC name is (Z)-1-(4-ethylpiperidin-1-yl)octadec-9-en-1-one.

Molecular Properties

Compound NameN-oleoyl-4-ethylpiperidine
PubChem CID129727935
Molecular FormulaC25H47NO
Molecular Weight377.60 g/mol
Exact Mass377.37
IUPAC Name(Z)-1-(4-ethylpiperidin-1-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCC(CC1)CC
InChIInChI=1S/C25H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-20-24(4-2)21-23-26/h11-12,24H,3-10,13-23H2,1-2H3/b12-11-
InChIKeyUKWCXLDCZAFTOR-QXMHVHEDSA-N
XLogP9.00
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity369

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 59.00
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

(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
9-Octadecenamide, N,N-dibutyl-, (9Z)-
CID 6436342
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
(9Z,12Z)-N-(3-methylbutyl)octadeca-9,12-dienamide
CID 76323953
(Z)-N,N-Diethyl-9-octadecenamide
CID 6197971
N,N-dipropyloleamide
CID 44270317
(Z)-N-methyl-N-propan-2-yloctadec-9-enamide
CID 44270372
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
2-Ethyl-1-undec-10-enoyl-piperidine
CID 44890638
9-Octadecenamide, N,N-dipropyl-
CID 551623
N,N-Diisobutyloleamide
CID 6432882
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593

Frequently Asked Questions

What is the IUPAC name of N-oleoyl-4-ethylpiperidine?
The IUPAC name of N-oleoyl-4-ethylpiperidine (CID 129727935) is (Z)-1-(4-ethylpiperidin-1-yl)octadec-9-en-1-one.
What is the SMILES notation for N-oleoyl-4-ethylpiperidine?
The canonical SMILES for N-oleoyl-4-ethylpiperidine is CCCCCCCC/C=C\CCCCCCCC(=O)N1CCC(CC1)CC.
What is the InChIKey of N-oleoyl-4-ethylpiperidine?
The InChIKey is UKWCXLDCZAFTOR-QXMHVHEDSA-N. The full InChI is InChI=1S/C25H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-20-24(4-2)21-23-26/h11-12,24H,3-10,13-23H2,1-2H3/b12-11-.
What are the key properties of N-oleoyl-4-ethylpiperidine?
N-oleoyl-4-ethylpiperidine has a molecular weight of 377.60 g/mol, XLogP of 9.00, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oleoyl-4-ethylpiperidine is sourced from PubChem (CID 129727935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).