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

C25H33N3O2 — CID 43925218

IUPACN-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C25H33N3O2/c1-3-4-15-26-25(30)22-13-7-8-14-23(22)27-24(29)21-12-9-16-28(18-21)17-20-11-6-5-10-19(20)2/h5-8,10-11,13-14,21H,3-4,9,12,15-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRGMTYADXGLNRMZ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.38
Rot. Bonds8

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

N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43925218) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43925218
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C25H33N3O2/c1-3-4-15-26-25(30)22-13-7-8-14-23(22)27-24(29)21-12-9-16-28(18-21)17-20-11-6-5-10-19(20)2/h5-8,10-11,13-14,21H,3-4,9,12,15-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRGMTYADXGLNRMZ-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925648
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
N-[2-(butylcarbamoyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38097310
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923600
1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925593

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43925218) is N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is CCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2C)C1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RGMTYADXGLNRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-4-15-26-25(30)22-13-7-8-14-23(22)27-24(29)21-12-9-16-28(18-21)17-20-11-6-5-10-19(20)2/h5-8,10-11,13-14,21H,3-4,9,12,15-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).