N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

C24H37N3O4 — CID 46019124

IUPACN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O4/c1-17-8-6-7-9-19(17)22(29)26-21(23(30)25-12-15-31-5)18-10-13-27(14-11-18)20(28)16-24(2,3)4/h6-9,18,21H,10-16H2,1-5H3,(H,25,30)(H,26,29)
InChIKeyOGZPUHUINHUHLV-UHFFFAOYSA-N
MW431.58 g/mol
LogP2.53
Rot. Bonds8

About N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 46019124) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID46019124
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC NameN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O4/c1-17-8-6-7-9-19(17)22(29)26-21(23(30)25-12-15-31-5)18-10-13-27(14-11-18)20(28)16-24(2,3)4/h6-9,18,21H,10-16H2,1-5H3,(H,25,30)(H,26,29)
InChIKeyOGZPUHUINHUHLV-UHFFFAOYSA-N
XLogP2.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197838
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 93196483
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 46019075
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196589
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (CID 46019124) is N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is COCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is OGZPUHUINHUHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-17-8-6-7-9-19(17)22(29)26-21(23(30)25-12-15-31-5)18-10-13-27(14-11-18)20(28)16-24(2,3)4/h6-9,18,21H,10-16H2,1-5H3,(H,25,30)(H,26,29).
What are the key properties of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 431.58 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46019124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).