4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide

C17H25N3O4 — CID 56803124

IUPAC4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESCCC(O)CN1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H25N3O4/c1-2-14(21)11-19-7-9-20(10-8-19)16(22)12-24-15-5-3-13(4-6-15)17(18)23/h3-6,14,21H,2,7-12H2,1H3,(H2,18,23)
InChIKeyREFGWUPUBYSTQR-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.08
Rot. Bonds7

About 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide

4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 56803124) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
PubChem CID56803124
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESCCC(O)CN1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H25N3O4/c1-2-14(21)11-19-7-9-20(10-8-19)16(22)12-24-15-5-3-13(4-6-15)17(18)23/h3-6,14,21H,2,7-12H2,1H3,(H2,18,23)
InChIKeyREFGWUPUBYSTQR-UHFFFAOYSA-N
XLogP0.08
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 7931291
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 806922
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide (CID 56803124) is 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide is CCC(O)CN1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is REFGWUPUBYSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-14(21)11-19-7-9-20(10-8-19)16(22)12-24-15-5-3-13(4-6-15)17(18)23/h3-6,14,21H,2,7-12H2,1H3,(H2,18,23).
What are the key properties of 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 335.40 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 56803124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).