[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H23N3O3 — CID 82533904

IUPAC[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc(N)cc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23N3O3/c1-21-14-5-4-12(17)11-13(14)18-6-8-19(9-7-18)16(20)15-3-2-10-22-15/h4-5,11,15H,2-3,6-10,17H2,1H3
InChIKeyYVBBYQNZHFHJIW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.11
Rot. Bonds3

About [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 82533904) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID82533904
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc(N)cc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23N3O3/c1-21-14-5-4-12(17)11-13(14)18-6-8-19(9-7-18)16(20)15-3-2-10-22-15/h4-5,11,15H,2-3,6-10,17H2,1H3
InChIKeyYVBBYQNZHFHJIW-UHFFFAOYSA-N
XLogP1.11
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-3-methylbut-2-en-1-one
CID 82533898
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533901
[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293371
[4-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 15818184
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 82533904) is [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1ccc(N)cc1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YVBBYQNZHFHJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-14-5-4-12(17)11-13(14)18-6-8-19(9-7-18)16(20)15-3-2-10-22-15/h4-5,11,15H,2-3,6-10,17H2,1H3.
What are the key properties of [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82533904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).