N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

C25H32N2O2 — CID 113006994

IUPACN-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-18-6-5-7-19(16-18)17-23(28)27-14-12-20(13-15-27)24(29)26-22-10-8-21(9-11-22)25(2,3)4/h5-11,16,20H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyGPWBOOWXXNSKEH-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.71
Rot. Bonds4

About N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113006994) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113006994
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-18-6-5-7-19(16-18)17-23(28)27-14-12-20(13-15-27)24(29)26-22-10-8-21(9-11-22)25(2,3)4/h5-11,16,20H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyGPWBOOWXXNSKEH-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007640
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113006994) is N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is GPWBOOWXXNSKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-6-5-7-19(16-18)17-23(28)27-14-12-20(13-15-27)24(29)26-22-10-8-21(9-11-22)25(2,3)4/h5-11,16,20H,12-15,17H2,1-4H3,(H,26,29).
What are the key properties of N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.71, 4 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-(3-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113006994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).