1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride

C17H26ClN3O4 — CID 119727506

IUPAC1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-23-11-6-18-13-16(21)19-7-9-20(10-8-19)17(22)14-4-3-5-15(12-14)24-2;/h3-5,12,18H,6-11,13H2,1-2H3;1H
InChIKeyFRSQGAMSUXEXAN-UHFFFAOYSA-N
MW371.87 g/mol
LogP0.64
Rot. Bonds7

About 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride

1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 119727506) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID119727506
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-23-11-6-18-13-16(21)19-7-9-20(10-8-19)17(22)14-4-3-5-15(12-14)24-2;/h3-5,12,18H,6-11,13H2,1-2H3;1H
InChIKeyFRSQGAMSUXEXAN-UHFFFAOYSA-N
XLogP0.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119747878
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119710383
3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949990
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 38046364
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119771193
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 29154201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 119727506) is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride is COCCNCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1.Cl.
What is the InChIKey of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is FRSQGAMSUXEXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-23-11-6-18-13-16(21)19-7-9-20(10-8-19)17(22)14-4-3-5-15(12-14)24-2;/h3-5,12,18H,6-11,13H2,1-2H3;1H.
What are the key properties of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).