4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide

C23H30N2O — CID 3455496

IUPAC4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-11-7-8-12-21(20)24-22(26)25-15-13-19(14-16-25)17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3,(H,24,26)
InChIKeyWGCVLHZKXIZRBW-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.47
Rot. Bonds3

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

4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide (PubChem CID 3455496) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
PubChem CID3455496
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-11-7-8-12-21(20)24-22(26)25-15-13-19(14-16-25)17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3,(H,24,26)
InChIKeyWGCVLHZKXIZRBW-UHFFFAOYSA-N
XLogP5.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide
CID 70113194
N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide
CID 42684871
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
4-benzyl-N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-4,6-difluorophenyl]piperidine-1-carboxamide
CID 19960612

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide (CID 3455496) is 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide?
The InChIKey is WGCVLHZKXIZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-23(2,3)20-11-7-8-12-21(20)24-22(26)25-15-13-19(14-16-25)17-18-9-5-4-6-10-18/h4-12,19H,13-17H2,1-3H3,(H,24,26).
What are the key properties of 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide?
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3455496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).