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

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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).