N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C21H32N2O2 — CID 27258911

IUPACN-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)16-7-9-17(10-8-16)22-18(24)15-11-13-23(14-12-15)19(25)21(4,5)6/h7-10,15H,11-14H2,1-6H3,(H,22,24)
InChIKeyLAZDZKFDJHSEQS-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.21
Rot. Bonds2

About N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 27258911) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID27258911
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)16-7-9-17(10-8-16)22-18(24)15-11-13-23(14-12-15)19(25)21(4,5)6/h7-10,15H,11-14H2,1-6H3,(H,22,24)
InChIKeyLAZDZKFDJHSEQS-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 27258911) is N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is LAZDZKFDJHSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-20(2,3)16-7-9-17(10-8-16)22-18(24)15-11-13-23(14-12-15)19(25)21(4,5)6/h7-10,15H,11-14H2,1-6H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 27258911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).