4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide

C21H26N2O — CID 21368177

IUPAC4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-13-16(2)20(17(3)14-15)22-21(24)18-7-9-19(10-8-18)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyXUVIDGWMJLMGGS-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.85
Rot. Bonds3

About 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide

4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 21368177) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID21368177
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-15-13-16(2)20(17(3)14-15)22-21(24)18-7-9-19(10-8-18)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyXUVIDGWMJLMGGS-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2,3-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282361
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide (CID 21368177) is 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is XUVIDGWMJLMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-13-16(2)20(17(3)14-15)22-21(24)18-7-9-19(10-8-18)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24).
What are the key properties of 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide?
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 322.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 21368177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).