4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide

C22H28N2O — CID 682745

IUPAC4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-22(2,3)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)24-15-5-4-6-16-24/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyGVLAQFKDHSOSFB-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.23
Rot. Bonds3

About 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide

4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 682745) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID682745
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-22(2,3)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)24-15-5-4-6-16-24/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyGVLAQFKDHSOSFB-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide (CID 682745) is 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is GVLAQFKDHSOSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-22(2,3)18-9-7-17(8-10-18)21(25)23-19-11-13-20(14-12-19)24-15-5-4-6-16-24/h7-14H,4-6,15-16H2,1-3H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide?
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 336.48 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 682745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).