2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C16H25N3O2 — CID 81393986

IUPAC2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-7-12(8-10-18)11-19(2)16(20)15-13(17)5-4-6-14(15)21-3/h4-6,12H,7-11,17H2,1-3H3
InChIKeyXXHAUCKENUJCLF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 81393986) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID81393986
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-7-12(8-10-18)11-19(2)16(20)15-13(17)5-4-6-14(15)21-3/h4-6,12H,7-11,17H2,1-3H3
InChIKeyXXHAUCKENUJCLF-UHFFFAOYSA-N
XLogP1.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234295
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63233409
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 81420517

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 81393986) is 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is COc1cccc(N)c1C(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is XXHAUCKENUJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-9-7-12(8-10-18)11-19(2)16(20)15-13(17)5-4-6-14(15)21-3/h4-6,12H,7-11,17H2,1-3H3.
What are the key properties of 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 81393986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).