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

C15H23N3O2 — CID 115413083

IUPAC2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-17-15(19)13-7-6-12(20-2)9-14(13)16/h6-7,9,11H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyDGOSWHPBZRJPDT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds4

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

2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 115413083) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
PubChem CID115413083
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-17-15(19)13-7-6-12(20-2)9-14(13)16/h6-7,9,11H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyDGOSWHPBZRJPDT-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
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

2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115413552
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (CID 115413083) is 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCCCN2C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is DGOSWHPBZRJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-17-15(19)13-7-6-12(20-2)9-14(13)16/h6-7,9,11H,3-5,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 115413083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).