N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C25H33N3O2 — CID 43925648

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-18-10-5-6-11-19(18)16-28-15-9-12-20(17-28)23(29)26-22-14-8-7-13-21(22)24(30)27-25(2,3)4/h5-8,10-11,13-14,20H,9,12,15-17H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyWOGDYMFSNOFJML-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.37
Rot. Bonds5

About N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43925648) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43925648
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-18-10-5-6-11-19(18)16-28-15-9-12-20(17-28)23(29)26-22-14-8-7-13-21(22)24(30)27-25(2,3)4/h5-8,10-11,13-14,20H,9,12,15-17H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyWOGDYMFSNOFJML-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38100852
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931715
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932139
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491922

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43925648) is N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WOGDYMFSNOFJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18-10-5-6-11-19(18)16-28-15-9-12-20(17-28)23(29)26-22-14-8-7-13-21(22)24(30)27-25(2,3)4/h5-8,10-11,13-14,20H,9,12,15-17H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).