[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone

C20H31NO2 — CID 169232138

IUPAC[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1CCCCCC1=CCCC=C1)N1CCC(O)CC1
InChIInChI=1S/C20H31NO2/c22-18-11-13-21(14-12-18)20(23)19-15-17(19)10-6-2-5-9-16-7-3-1-4-8-16/h3,7-8,17-19,22H,1-2,4-6,9-15H2
InChIKeyHMUJMNMEONECTN-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.83
Rot. Bonds7

About [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone

[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 169232138) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID169232138
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CC1CCCCCC1=CCCC=C1)N1CCC(O)CC1
InChIInChI=1S/C20H31NO2/c22-18-11-13-21(14-12-18)20(23)19-15-17(19)10-6-2-5-9-16-7-3-1-4-8-16/h3,7-8,17-19,22H,1-2,4-6,9-15H2
InChIKeyHMUJMNMEONECTN-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232113
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
1-(Cyclohex-3-ene-1-carbonyl)piperidin-4-ol
CID 43415981
2-(Cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 63565360
2-(Cyclohexen-1-yl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 72009046
2-(Cyclohexen-1-yl)-1-[3-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112377893
2-(Cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114680186
[(1S)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129364654
[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129364655
3-[1-[6-(2-Hydroxycyclopropyl)-4-methylcyclohexa-1,5-dien-1-yl]ethenyl]-1-oxidopiperidin-2-one
CID 164170360

Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone (CID 169232138) is [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CC1CCCCCC1=CCCC=C1)N1CCC(O)CC1.
What is the InChIKey of [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is HMUJMNMEONECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c22-18-11-13-21(14-12-18)20(23)19-15-17(19)10-6-2-5-9-16-7-3-1-4-8-16/h3,7-8,17-19,22H,1-2,4-6,9-15H2.
What are the key properties of [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 317.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 169232138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).