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

C16H25N3O — CID 60944646

IUPAC3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-9-7-14(8-10-19)18-15(20)12-5-4-6-13(17)11-12/h4-6,11,14H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyLPPWNBNUZZBKJD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.26
Rot. Bonds2

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

3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide (PubChem CID 60944646) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
PubChem CID60944646
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-9-7-14(8-10-19)18-15(20)12-5-4-6-13(17)11-12/h4-6,11,14H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyLPPWNBNUZZBKJD-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
CID 119862941
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
tert-butyl 3-[(3-aminobenzoyl)amino]azetidine-1-carboxylate
CID 89028394

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide?
The IUPAC name of 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide (CID 60944646) is 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide is CC(C)(C)N1CCC(NC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide?
The InChIKey is LPPWNBNUZZBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)19-9-7-14(8-10-19)18-15(20)12-5-4-6-13(17)11-12/h4-6,11,14H,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide?
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide is sourced from PubChem (CID 60944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).