4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide

C26H39N3O3 — CID 56568935

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C26H39N3O3/c1-19(2)12-15-28-16-13-23(14-17-28)27-26(31)22-8-10-24(11-9-22)32-18-25(30)29-20(3)6-5-7-21(29)4/h8-12,20-21,23H,5-7,13-18H2,1-4H3,(H,27,31)
InChIKeyWYZFVRBLVQQCFY-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.02
Rot. Bonds7

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide (PubChem CID 56568935) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
PubChem CID56568935
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C26H39N3O3/c1-19(2)12-15-28-16-13-23(14-17-28)27-26(31)22-8-10-24(11-9-22)32-18-25(30)29-20(3)6-5-7-21(29)4/h8-12,20-21,23H,5-7,13-18H2,1-4H3,(H,27,31)
InChIKeyWYZFVRBLVQQCFY-UHFFFAOYSA-N
XLogP4.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214
[2-(cycloheptylamino)-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 41175982
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide (CID 56568935) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide is CC(C)=CCN1CCC(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The InChIKey is WYZFVRBLVQQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-19(2)12-15-28-16-13-23(14-17-28)27-26(31)22-8-10-24(11-9-22)32-18-25(30)29-20(3)6-5-7-21(29)4/h8-12,20-21,23H,5-7,13-18H2,1-4H3,(H,27,31).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide has a molecular weight of 441.62 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 56568935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).