2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone

C16H23N3O2 — CID 100638394

IUPAC2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C16H23N3O2/c20-16(11-13-5-1-2-6-13)19-10-4-7-14(12-19)21-15-8-3-9-17-18-15/h3,8-9,13-14H,1-2,4-7,10-12H2/t14-/m0/s1
InChIKeyBAERGWAVPFIJPM-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.43
Rot. Bonds4

About 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone

2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone (PubChem CID 100638394) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
PubChem CID100638394
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C16H23N3O2/c20-16(11-13-5-1-2-6-13)19-10-4-7-14(12-19)21-15-8-3-9-17-18-15/h3,8-9,13-14H,1-2,4-7,10-12H2/t14-/m0/s1
InChIKeyBAERGWAVPFIJPM-AWEZNQCLSA-N
XLogP2.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 100638229
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone (CID 100638394) is 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The InChIKey is BAERGWAVPFIJPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(11-13-5-1-2-6-13)19-10-4-7-14(12-19)21-15-8-3-9-17-18-15/h3,8-9,13-14H,1-2,4-7,10-12H2/t14-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 100638394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).