[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone

C18H26N2O4 — CID 110293371

IUPAC[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)C3CCCO3)CCN2C)cc1OC
InChIInChI=1S/C18H26N2O4/c1-19-8-9-20(18(21)16-5-4-10-24-16)12-14(19)13-6-7-15(22-2)17(11-13)23-3/h6-7,11,14,16H,4-5,8-10,12H2,1-3H3
InChIKeyYXFXBSWDJGAJST-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.70
Rot. Bonds4

About [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone

[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110293371) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110293371
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)C3CCCO3)CCN2C)cc1OC
InChIInChI=1S/C18H26N2O4/c1-19-8-9-20(18(21)16-5-4-10-24-16)12-14(19)13-6-7-15(22-2)17(11-13)23-3/h6-7,11,14,16H,4-5,8-10,12H2,1-3H3
InChIKeyYXFXBSWDJGAJST-UHFFFAOYSA-N
XLogP1.70
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302215
1-[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293369
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
N-(2,4-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3534553
N-cyano-N'-(3,4-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 151289623
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
CID 126852228

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 110293371) is [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone is COc1ccc(C2CN(C(=O)C3CCCO3)CCN2C)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YXFXBSWDJGAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-19-8-9-20(18(21)16-5-4-10-24-16)12-14(19)13-6-7-15(22-2)17(11-13)23-3/h6-7,11,14,16H,4-5,8-10,12H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110293371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).