(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

C22H23N3O4 — CID 90560263

IUPAC(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3nncc4ccccc34)CC2)c1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-9-5-8-18(20(19)28-2)22(26)25-12-10-16(11-13-25)29-21-17-7-4-3-6-15(17)14-23-24-21/h3-9,14,16H,10-13H2,1-2H3
InChIKeyZWOSFLLTTXQXFU-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.33
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (PubChem CID 90560263) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
PubChem CID90560263
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3nncc4ccccc34)CC2)c1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-9-5-8-18(20(19)28-2)22(26)25-12-10-16(11-13-25)29-21-17-7-4-3-6-15(17)14-23-24-21/h3-9,14,16H,10-13H2,1-2H3
InChIKeyZWOSFLLTTXQXFU-UHFFFAOYSA-N
XLogP3.33
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560415
(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560366
1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560162
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560405
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 90560342
3-(benzenesulfonyl)-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560390
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90560341

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (CID 90560263) is (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is COc1cccc(C(=O)N2CCC(Oc3nncc4ccccc34)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The InChIKey is ZWOSFLLTTXQXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-9-5-8-18(20(19)28-2)22(26)25-12-10-16(11-13-25)29-21-17-7-4-3-6-15(17)14-23-24-21/h3-9,14,16H,10-13H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone has a molecular weight of 393.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90560263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).