N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

C28H30N2O3 — CID 129360854

IUPACN-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-29-27(32)28(20-22-9-8-12-24(19-22)23-10-4-2-5-11-23)15-17-30(18-16-28)26(31)21-33-25-13-6-3-7-14-25/h2-14,19H,15-18,20-21H2,1H3,(H,29,32)
InChIKeyMMJSBDFVFIAVFS-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.33
Rot. Bonds7

About N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 129360854) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID129360854
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-29-27(32)28(20-22-9-8-12-24(19-22)23-10-4-2-5-11-23)15-17-30(18-16-28)26(31)21-33-25-13-6-3-7-14-25/h2-14,19H,15-18,20-21H2,1H3,(H,29,32)
InChIKeyMMJSBDFVFIAVFS-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (CID 129360854) is N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MMJSBDFVFIAVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-29-27(32)28(20-22-9-8-12-24(19-22)23-10-4-2-5-11-23)15-17-30(18-16-28)26(31)21-33-25-13-6-3-7-14-25/h2-14,19H,15-18,20-21H2,1H3,(H,29,32).
What are the key properties of N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129360854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).