3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide

C22H29N3O — CID 119862941

IUPAC3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)17-7-9-20(10-8-17)25-13-11-19(12-14-25)24-21(26)16-5-4-6-18(23)15-16/h4-10,15,19H,11-14,23H2,1-3H3,(H,24,26)
InChIKeyQUFLPIXBNZSIOW-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.97
Rot. Bonds3

About 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide

3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide (PubChem CID 119862941) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
PubChem CID119862941
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)17-7-9-20(10-8-17)25-13-11-19(12-14-25)24-21(26)16-5-4-6-18(23)15-16/h4-10,15,19H,11-14,23H2,1-3H3,(H,24,26)
InChIKeyQUFLPIXBNZSIOW-UHFFFAOYSA-N
XLogP3.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.97
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-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86873553
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide (CID 119862941) is 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide is CC(C)(C)c1ccc(N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1.
What is the InChIKey of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide?
The InChIKey is QUFLPIXBNZSIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-22(2,3)17-7-9-20(10-8-17)25-13-11-19(12-14-25)24-21(26)16-5-4-6-18(23)15-16/h4-10,15,19H,11-14,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide?
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 119862941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).