2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C16H25N3O3 — CID 82183835

IUPAC2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(N)c(C(=O)N(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H25N3O3/c1-18-7-5-11(6-8-18)19(2)16(20)12-9-14(21-3)15(22-4)10-13(12)17/h9-11H,5-8,17H2,1-4H3
InChIKeyWPBZLYQOZXVABO-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 82183835) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID82183835
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(N)c(C(=O)N(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H25N3O3/c1-18-7-5-11(6-8-18)19(2)16(20)12-9-14(21-3)15(22-4)10-13(12)17/h9-11H,5-8,17H2,1-4H3
InChIKeyWPBZLYQOZXVABO-UHFFFAOYSA-N
XLogP1.45
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
3-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 81089849
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 122172116
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 82183835) is 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is COc1cc(N)c(C(=O)N(C)C2CCN(C)CC2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is WPBZLYQOZXVABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-7-5-11(6-8-18)19(2)16(20)12-9-14(21-3)15(22-4)10-13(12)17/h9-11H,5-8,17H2,1-4H3.
What are the key properties of 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 307.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 82183835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).