[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C18H22N4O2 — CID 90559348

IUPAC[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Oc3cccnn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(13-15)18(23)22-11-8-16(9-12-22)24-17-7-4-10-19-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyGSXVDAHEPYTSAS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

About [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 90559348) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID90559348
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Oc3cccnn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(13-15)18(23)22-11-8-16(9-12-22)24-17-7-4-10-19-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyGSXVDAHEPYTSAS-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 71799336
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 126852304
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 90559348) is [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCC(Oc3cccnn3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is GSXVDAHEPYTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(13-15)18(23)22-11-8-16(9-12-22)24-17-7-4-10-19-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).