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

C26H29N3O3 — CID 43923638

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1
InChIInChI=1S/C26H29N3O3/c1-19-8-2-3-9-20(19)17-29-14-6-10-21(18-29)25(30)28-24-13-5-4-12-23(24)26(31)27-16-22-11-7-15-32-22/h2-5,7-9,11-13,15,21H,6,10,14,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLGGXBMSANMZTTF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.37
Rot. Bonds7

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

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923638) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43923638
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1
InChIInChI=1S/C26H29N3O3/c1-19-8-2-3-9-20(19)17-29-14-6-10-21(18-29)25(30)28-24-13-5-4-12-23(24)26(31)27-16-22-11-7-15-32-22/h2-5,7-9,11-13,15,21H,6,10,14,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLGGXBMSANMZTTF-UHFFFAOYSA-N
XLogP4.37
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925648
(3S)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073677
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43931241
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
N-(furan-2-ylmethyl)-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163918
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925593
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34650298
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43923638) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LGGXBMSANMZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-8-2-3-9-20(19)17-29-14-6-10-21(18-29)25(30)28-24-13-5-4-12-23(24)26(31)27-16-22-11-7-15-32-22/h2-5,7-9,11-13,15,21H,6,10,14,16-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).