3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide

C17H27N3O — CID 62089139

IUPAC3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
SMILESCC(C)(C)C1CCN(Cc2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)14-6-8-20(9-7-14)11-13-5-4-12(16(19)21)10-15(13)18/h4-5,10,14H,6-9,11,18H2,1-3H3,(H2,19,21)
InChIKeyYBFDMLHHAALAIQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide

3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide (PubChem CID 62089139) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
PubChem CID62089139
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
SMILESCC(C)(C)C1CCN(Cc2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)14-6-8-20(9-7-14)11-13-5-4-12(16(19)21)10-15(13)18/h4-5,10,14H,6-9,11,18H2,1-3H3,(H2,19,21)
InChIKeyYBFDMLHHAALAIQ-UHFFFAOYSA-N
XLogP2.63
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.63
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-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-amino-4-[(3,5-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 82165851
4-[(3-tert-butylpyrrolidin-1-yl)methyl]-3-chlorobenzoic acid
CID 102670024
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
3-[(4-tert-butylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639899
[2-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 62091617
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide (CID 62089139) is 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide is CC(C)(C)C1CCN(Cc2ccc(C(N)=O)cc2N)CC1.
What is the InChIKey of 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide?
The InChIKey is YBFDMLHHAALAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)14-6-8-20(9-7-14)11-13-5-4-12(16(19)21)10-15(13)18/h4-5,10,14H,6-9,11,18H2,1-3H3,(H2,19,21).
What are the key properties of 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide?
3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 62089139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).