7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one

C22H27N3O3 — CID 10809876

IUPAC7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1
InChIInChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3
InChIKeyZVSMANBKDHUTOV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds5

About 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one

7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 10809876) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID10809876
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1
InChIInChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3
InChIKeyZVSMANBKDHUTOV-UHFFFAOYSA-N
XLogP2.42
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

AC-260584
CID 9928284
PD-172760
CID 9885114
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 10340555
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 11742940
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one (CID 10809876) is 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one is COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1.
What is the InChIKey of 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is ZVSMANBKDHUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3.
What are the key properties of 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one?
7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 381.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 10809876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).