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

C15H23N3O2 — CID 81420315

IUPAC2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCC1CCCCN1C
InChIInChI=1S/C15H23N3O2/c1-18-9-4-3-6-11(18)10-17-15(19)14-12(16)7-5-8-13(14)20-2/h5,7-8,11H,3-4,6,9-10,16H2,1-2H3,(H,17,19)
InChIKeyAYGDQZRZFSWDEV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds4

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

2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 81420315) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
PubChem CID81420315
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCC1CCCCN1C
InChIInChI=1S/C15H23N3O2/c1-18-9-4-3-6-11(18)10-17-15(19)14-12(16)7-5-8-13(14)20-2/h5,7-8,11H,3-4,6,9-10,16H2,1-2H3,(H,17,19)
InChIKeyAYGDQZRZFSWDEV-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-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (CID 81420315) is 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is COc1cccc(N)c1C(=O)NCC1CCCCN1C.
What is the InChIKey of 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is AYGDQZRZFSWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-9-4-3-6-11(18)10-17-15(19)14-12(16)7-5-8-13(14)20-2/h5,7-8,11H,3-4,6,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
2-amino-6-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-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 81420315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).