(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone

C27H23N3O3 — CID 90560342

IUPAC(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C27H23N3O3/c31-27(25-21-9-3-5-11-23(21)33-24-12-6-4-10-22(24)25)30-15-13-19(14-16-30)32-26-20-8-2-1-7-18(20)17-28-29-26/h1-12,17,19,25H,13-16H2
InChIKeyXILHTYPMKPAHPA-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.94
Rot. Bonds3

About (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone

(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone (PubChem CID 90560342) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
PubChem CID90560342
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C27H23N3O3/c31-27(25-21-9-3-5-11-23(21)33-24-12-6-4-10-22(24)25)30-15-13-19(14-16-30)32-26-20-8-2-1-7-18(20)17-28-29-26/h1-12,17,19,25H,13-16H2
InChIKeyXILHTYPMKPAHPA-UHFFFAOYSA-N
XLogP4.94
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560162
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
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
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
3-(benzenesulfonyl)-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560390
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560366
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90639617
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291

Frequently Asked Questions

What is the IUPAC name of (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The IUPAC name of (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone (CID 90560342) is (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The canonical SMILES for (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The InChIKey is XILHTYPMKPAHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-27(25-21-9-3-5-11-23(21)33-24-12-6-4-10-22(24)25)30-15-13-19(14-16-30)32-26-20-8-2-1-7-18(20)17-28-29-26/h1-12,17,19,25H,13-16H2.
What are the key properties of (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone has a molecular weight of 437.50 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 90560342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).