N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide

C26H36N2O — CID 172634540

IUPACN-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O/c1-25(2,3)19-26(4,5)21-11-13-23(14-12-21)28-17-15-20(16-18-28)24(29)27-22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3,(H,27,29)
InChIKeyAEFKXEIKABLYNT-UHFFFAOYSA-N
MW392.59 g/mol
LogP6.26
Rot. Bonds5

About N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide

N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 172634540) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID172634540
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O/c1-25(2,3)19-26(4,5)21-11-13-23(14-12-21)28-17-15-20(16-18-28)24(29)27-22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3,(H,27,29)
InChIKeyAEFKXEIKABLYNT-UHFFFAOYSA-N
XLogP6.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
CID 172634592
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152498
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide (CID 172634540) is N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide is CC(C)(C)CC(C)(C)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is AEFKXEIKABLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-25(2,3)19-26(4,5)21-11-13-23(14-12-21)28-17-15-20(16-18-28)24(29)27-22-9-7-6-8-10-22/h6-14,20H,15-19H2,1-5H3,(H,27,29).
What are the key properties of N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide?
N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 172634540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).