N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide

C24H30N2O3 — CID 113006982

IUPACN-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-7-9-20(10-8-19)25-22(27)17-13-15-26(16-14-17)23(28)18-5-11-21(29-4)12-6-18/h5-12,17H,13-16H2,1-4H3,(H,25,27)
InChIKeyMJJLRIWLKXUJHJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.48
Rot. Bonds4

About N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide

N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 113006982) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID113006982
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-7-9-20(10-8-19)25-22(27)17-13-15-26(16-14-17)23(28)18-5-11-21(29-4)12-6-18/h5-12,17H,13-16H2,1-4H3,(H,25,27)
InChIKeyMJJLRIWLKXUJHJ-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
CID 55497462
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (CID 113006982) is N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is MJJLRIWLKXUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-7-9-20(10-8-19)25-22(27)17-13-15-26(16-14-17)23(28)18-5-11-21(29-4)12-6-18/h5-12,17H,13-16H2,1-4H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).