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

C16H25N3O2 — CID 81393736

IUPAC2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C16H25N3O2/c1-12-6-9-19(10-7-12)11-8-18-16(20)15-13(17)4-3-5-14(15)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyYJEMQYRVOWMISL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.74
Rot. Bonds5

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

2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 81393736) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID81393736
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C16H25N3O2/c1-12-6-9-19(10-7-12)11-8-18-16(20)15-13(17)4-3-5-14(15)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyYJEMQYRVOWMISL-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.74
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

4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 81393736) is 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is COc1cccc(N)c1C(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is YJEMQYRVOWMISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-9-19(10-7-12)11-8-18-16(20)15-13(17)4-3-5-14(15)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.74, 5 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-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 81393736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).