4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide

C17H27N3O — CID 60945933

IUPAC4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-12-11-13(5-6-15(12)18)16(21)19-14-7-9-20(10-8-14)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3,(H,19,21)
InChIKeyXKAHVUJIZMIUDE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.57
Rot. Bonds2

About 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide

4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide (PubChem CID 60945933) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
PubChem CID60945933
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-12-11-13(5-6-15(12)18)16(21)19-14-7-9-20(10-8-14)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3,(H,19,21)
InChIKeyXKAHVUJIZMIUDE-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.57
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

4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
[4-[(4-bromo-3-methylbenzoyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784551
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide (CID 60945933) is 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCN(C(C)(C)C)CC2)ccc1N.
What is the InChIKey of 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide?
The InChIKey is XKAHVUJIZMIUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-11-13(5-6-15(12)18)16(21)19-14-7-9-20(10-8-14)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3,(H,19,21).
What are the key properties of 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide?
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide is sourced from PubChem (CID 60945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).