4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

C24H30N2O2 — CID 108554160

IUPAC4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-17-6-5-7-19(16-17)23(28)26-14-12-21(13-15-26)25-22(27)18-8-10-20(11-9-18)24(2,3)4/h5-11,16,21H,12-15H2,1-4H3,(H,25,27)
InChIKeyDBFFSNQLRMFMLG-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.33
Rot. Bonds3

About 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108554160) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108554160
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-17-6-5-7-19(16-17)23(28)26-14-12-21(13-15-26)25-22(27)18-8-10-20(11-9-18)24(2,3)4/h5-11,16,21H,12-15H2,1-4H3,(H,25,27)
InChIKeyDBFFSNQLRMFMLG-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (CID 108554160) is 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is DBFFSNQLRMFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-6-5-7-19(16-17)23(28)26-14-12-21(13-15-26)25-22(27)18-8-10-20(11-9-18)24(2,3)4/h5-11,16,21H,12-15H2,1-4H3,(H,25,27).
What are the key properties of 4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.33, 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-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108554160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).