2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide

C18H27N3O3 — CID 142630847

IUPAC2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
SMILESCN1CCN(C(=O)CCCCCOc2ccccc2C(N)=O)CC1
InChIInChI=1S/C18H27N3O3/c1-20-10-12-21(13-11-20)17(22)9-3-2-6-14-24-16-8-5-4-7-15(16)18(19)23/h4-5,7-8H,2-3,6,9-14H2,1H3,(H2,19,23)
InChIKeyAMKVLGWXIWXPTJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.50
Rot. Bonds8

About 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide

2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide (PubChem CID 142630847) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
PubChem CID142630847
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
SMILESCN1CCN(C(=O)CCCCCOc2ccccc2C(N)=O)CC1
InChIInChI=1S/C18H27N3O3/c1-20-10-12-21(13-11-20)17(22)9-3-2-6-14-24-16-8-5-4-7-15(16)18(19)23/h4-5,7-8H,2-3,6,9-14H2,1H3,(H2,19,23)
InChIKeyAMKVLGWXIWXPTJ-UHFFFAOYSA-N
XLogP1.50
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936
2-(3-aminopropoxy)-N-[[4-[[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 57267728
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 142712233
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
2-[2-[[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]carbamoyl]phenoxy]acetic acid
CID 18791474
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide
CID 18791525
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide?
The IUPAC name of 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide (CID 142630847) is 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide.
What is the SMILES notation for 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide?
The canonical SMILES for 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide is CN1CCN(C(=O)CCCCCOc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide?
The InChIKey is AMKVLGWXIWXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20-10-12-21(13-11-20)17(22)9-3-2-6-14-24-16-8-5-4-7-15(16)18(19)23/h4-5,7-8H,2-3,6,9-14H2,1H3,(H2,19,23).
What are the key properties of 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide?
2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide is sourced from PubChem (CID 142630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).