[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone

C19H29NO2 — CID 169232113

IUPAC[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESC=C/C=C(\C=C)CCCCC1CC1C(=O)N1CCC(O)CC1
InChIInChI=1S/C19H29NO2/c1-3-7-15(4-2)8-5-6-9-16-14-18(16)19(22)20-12-10-17(21)11-13-20/h3-4,7,16-18,21H,1-2,5-6,8-14H2/b15-7+
InChIKeyMYHNGLZCKOCMOS-VIZOYTHASA-N
MW303.45 g/mol
LogP3.46
Rot. Bonds8

About [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone

[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 169232113) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID169232113
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESC=C/C=C(\C=C)CCCCC1CC1C(=O)N1CCC(O)CC1
InChIInChI=1S/C19H29NO2/c1-3-7-15(4-2)8-5-6-9-16-14-18(16)19(22)20-12-10-17(21)11-13-20/h3-4,7,16-18,21H,1-2,5-6,8-14H2/b15-7+
InChIKeyMYHNGLZCKOCMOS-VIZOYTHASA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
CID 169232114
[3-(5-Cyclohexa-1,5-dien-1-ylpentyl)cyclobutyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232128
(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one
CID 169232131
[2-(5-Cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232138
2-Cyclopent-2-en-1-yl-1-(4-hydroxypiperidin-1-yl)ethanone
CID 42919382
2-(Cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114680186

Frequently Asked Questions

What is the IUPAC name of [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (CID 169232113) is [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is C=C/C=C(\C=C)CCCCC1CC1C(=O)N1CCC(O)CC1.
What is the InChIKey of [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is MYHNGLZCKOCMOS-VIZOYTHASA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-7-15(4-2)8-5-6-9-16-14-18(16)19(22)20-12-10-17(21)11-13-20/h3-4,7,16-18,21H,1-2,5-6,8-14H2/b15-7+.
What are the key properties of [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 303.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 169232113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).