(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C18H21N3O4 — CID 71799347

IUPAC(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-6-5-13(12-16(15)24-2)18(22)21-10-7-14(8-11-21)25-17-4-3-9-19-20-17/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyNPNGKWCRNJJIEA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.18
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 71799347) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID71799347
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-6-5-13(12-16(15)24-2)18(22)21-10-7-14(8-11-21)25-17-4-3-9-19-20-17/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyNPNGKWCRNJJIEA-UHFFFAOYSA-N
XLogP2.18
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 71799347) is (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is NPNGKWCRNJJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-15-6-5-13(12-16(15)24-2)18(22)21-10-7-14(8-11-21)25-17-4-3-9-19-20-17/h3-6,9,12,14H,7-8,10-11H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71799347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).