[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

C24H23N3O3 — CID 134275506

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESCOc1ccccc1N1CCN(C(=O)N2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C24H23N3O3/c1-29-21-11-5-2-8-18(21)25-14-16-26(17-15-25)24(28)27-19-9-3-6-12-22(19)30-23-13-7-4-10-20(23)27/h2-13H,14-17H2,1H3
InChIKeyQMEXPSNSCIGJHI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.88
Rot. Bonds2

About [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (PubChem CID 134275506) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
PubChem CID134275506
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESCOc1ccccc1N1CCN(C(=O)N2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C24H23N3O3/c1-29-21-11-5-2-8-18(21)25-14-16-26(17-15-25)24(28)27-19-9-3-6-12-22(19)30-23-13-7-4-10-20(23)27/h2-13H,14-17H2,1H3
InChIKeyQMEXPSNSCIGJHI-UHFFFAOYSA-N
XLogP4.88
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041628
1-(2,5-Difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041629
[4-(3-Methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
CID 137643819
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
Benzimidazolone scaffold, 8h
CID 42618260
Benzimidazolone scaffold, 17d
CID 42618261
Benzimidazolone scaffold, 17f
CID 42618262
2-Ethyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018053
N-(2-Ethoxy-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220801
2-Methyl-4-(2-oxo-2-piperidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3224947
N-benzyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 6625603
2-ethyl-N-(4-methylbenzyl)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 16018085

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (CID 134275506) is [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is COc1ccccc1N1CCN(C(=O)N2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The InChIKey is QMEXPSNSCIGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-21-11-5-2-8-18(21)25-14-16-26(17-15-25)24(28)27-19-9-3-6-12-22(19)30-23-13-7-4-10-20(23)27/h2-13H,14-17H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone has a molecular weight of 401.47 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is sourced from PubChem (CID 134275506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).