3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide

C16H25N3O2 — CID 83003513

IUPAC3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NN2C(C)CCCC2C)cc1N
InChIInChI=1S/C16H25N3O2/c1-4-21-15-9-8-13(10-14(15)17)16(20)18-19-11(2)6-5-7-12(19)3/h8-12H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyODAHTRKPBGCWAH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.58
Rot. Bonds4

About 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide

3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide (PubChem CID 83003513) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
PubChem CID83003513
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NN2C(C)CCCC2C)cc1N
InChIInChI=1S/C16H25N3O2/c1-4-21-15-9-8-13(10-14(15)17)16(20)18-19-11(2)6-5-7-12(19)3/h8-12H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyODAHTRKPBGCWAH-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide (CID 83003513) is 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NN2C(C)CCCC2C)cc1N.
What is the InChIKey of 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide?
The InChIKey is ODAHTRKPBGCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-15-9-8-13(10-14(15)17)16(20)18-19-11(2)6-5-7-12(19)3/h8-12H,4-7,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide?
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide is sourced from PubChem (CID 83003513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).