3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

C15H21N3O3 — CID 81094264

IUPAC3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CCC(=O)N(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-7-10(6-11(16)8-13)15(20)17-12-4-5-14(19)18(2)9-12/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,20)
InChIKeyJMWSPUJQZRGZPG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 81094264) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID81094264
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CCC(=O)N(C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-7-10(6-11(16)8-13)15(20)17-12-4-5-14(19)18(2)9-12/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,20)
InChIKeyJMWSPUJQZRGZPG-UHFFFAOYSA-N
XLogP1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 81094264) is 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CCOc1cc(N)cc(C(=O)NC2CCC(=O)N(C)C2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is JMWSPUJQZRGZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-21-13-7-10(6-11(16)8-13)15(20)17-12-4-5-14(19)18(2)9-12/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 81094264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).