cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C16H21N3O2 — CID 90559367

IUPACcyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H21N3O2/c20-16(13-5-2-1-3-6-13)19-11-8-14(9-12-19)21-15-7-4-10-17-18-15/h1-2,4,7,10,13-14H,3,5-6,8-9,11-12H2
InChIKeyDJQQPOXSWVVXQI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.20
Rot. Bonds3

About cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 90559367) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID90559367
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namecyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H21N3O2/c20-16(13-5-2-1-3-6-13)19-11-8-14(9-12-19)21-15-7-4-10-17-18-15/h1-2,4,7,10,13-14H,3,5-6,8-9,11-12H2
InChIKeyDJQQPOXSWVVXQI-UHFFFAOYSA-N
XLogP2.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626673
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
(E)-3-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799354
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642537
N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559382
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 90559367) is cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is DJQQPOXSWVVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(13-5-2-1-3-6-13)19-11-8-14(9-12-19)21-15-7-4-10-17-18-15/h1-2,4,7,10,13-14H,3,5-6,8-9,11-12H2.
What are the key properties of cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).