2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

C17H27N3O — CID 61140232

IUPAC2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13(12-20-9-4-3-5-10-20)11-19-17(21)16-14(2)7-6-8-15(16)18/h6-8,13H,3-5,9-12,18H2,1-2H3,(H,19,21)
InChIKeyMBWXEPRKTNAPGY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.43
Rot. Bonds5

About 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (PubChem CID 61140232) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
PubChem CID61140232
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13(12-20-9-4-3-5-10-20)11-19-17(21)16-14(2)7-6-8-15(16)18/h6-8,13H,3-5,9-12,18H2,1-2H3,(H,19,21)
InChIKeyMBWXEPRKTNAPGY-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261834
2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 63659855
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide
CID 60557221
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (CID 61140232) is 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is Cc1cccc(N)c1C(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is MBWXEPRKTNAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(12-20-9-4-3-5-10-20)11-19-17(21)16-14(2)7-6-8-15(16)18/h6-8,13H,3-5,9-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 61140232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).