2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide

C21H30FN3O4 — CID 42840204

IUPAC2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C21H30FN3O4/c1-14(2)21(28)25-11-8-15(9-12-25)18(20(27)23-10-13-29-3)24-19(26)16-6-4-5-7-17(16)22/h4-7,14-15,18H,8-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyHDQOGEMYRSNDQU-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.58
Rot. Bonds8

About 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide

2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 42840204) has the molecular formula C21H30FN3O4 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID42840204
Molecular FormulaC21H30FN3O4
Molecular Weight407.49 g/mol
Exact Mass407.22
IUPAC Name2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C21H30FN3O4/c1-14(2)21(28)25-11-8-15(9-12-25)18(20(27)23-10-13-29-3)24-19(26)16-6-4-5-7-17(16)22/h4-7,14-15,18H,8-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyHDQOGEMYRSNDQU-UHFFFAOYSA-N
XLogP1.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.58
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

2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 93196404
N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199700
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 46019075
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 93196483
2-fluoro-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
CID 42840212
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-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 93196493
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 42840204) is 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide is COCCNC(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is HDQOGEMYRSNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O4/c1-14(2)21(28)25-11-8-15(9-12-25)18(20(27)23-10-13-29-3)24-19(26)16-6-4-5-7-17(16)22/h4-7,14-15,18H,8-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 407.49 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42840204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).