(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

C26H23N3O3 — CID 121127202

IUPAC(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C26H23N3O3/c30-26(23-12-6-7-13-24(23)31-20-9-2-1-3-10-20)29-16-14-21(15-17-29)32-25-22-11-5-4-8-19(22)18-27-28-25/h1-13,18,21H,14-17H2
InChIKeyUBXZPUCEYCEUNZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.11
Rot. Bonds5

About (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (PubChem CID 121127202) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
PubChem CID121127202
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C26H23N3O3/c30-26(23-12-6-7-13-24(23)31-20-9-2-1-3-10-20)29-16-14-21(15-17-29)32-25-22-11-5-4-8-19(22)18-27-28-25/h1-13,18,21H,14-17H2
InChIKeyUBXZPUCEYCEUNZ-UHFFFAOYSA-N
XLogP5.11
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
(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
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560415
(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
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 126852288
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (CID 121127202) is (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is O=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The InChIKey is UBXZPUCEYCEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-26(23-12-6-7-13-24(23)31-20-9-2-1-3-10-20)29-16-14-21(15-17-29)32-25-22-11-5-4-8-19(22)18-27-28-25/h1-13,18,21H,14-17H2.
What are the key properties of (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone has a molecular weight of 425.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121127202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).