3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

C18H29N3O — CID 119849842

IUPAC3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(N)c2)C(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)17(21-9-7-14(3)8-10-21)12-20-18(22)15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,7-10,12,19H2,1-3H3,(H,20,22)
InChIKeyBQMFDJYEJVXYBZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 119849842) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID119849842
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(N)c2)C(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)17(21-9-7-14(3)8-10-21)12-20-18(22)15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,7-10,12,19H2,1-3H3,(H,20,22)
InChIKeyBQMFDJYEJVXYBZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.76
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

3-(methoxymethyl)-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 51941744
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658978
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658240
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55659009
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (CID 119849842) is 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is CC1CCN(C(CNC(=O)c2cccc(N)c2)C(C)C)CC1.
What is the InChIKey of 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is BQMFDJYEJVXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)17(21-9-7-14(3)8-10-21)12-20-18(22)15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,7-10,12,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 119849842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).