N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C28H30N2O3 — CID 46071992

IUPACN-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C28H30N2O3/c1-20-8-6-11-22(16-20)26-15-14-23(28(32)29-24-12-7-13-25(18-24)33-2)19-30(26)27(31)17-21-9-4-3-5-10-21/h3-13,16,18,23,26H,14-15,17,19H2,1-2H3,(H,29,32)
InChIKeyVYAICFINZAEWGD-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.16
Rot. Bonds6

About N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 46071992) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID46071992
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C28H30N2O3/c1-20-8-6-11-22(16-20)26-15-14-23(28(32)29-24-12-7-13-25(18-24)33-2)19-30(26)27(31)17-21-9-4-3-5-10-21/h3-13,16,18,23,26H,14-15,17,19H2,1-2H3,(H,29,32)
InChIKeyVYAICFINZAEWGD-UHFFFAOYSA-N
XLogP5.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849674
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
CID 42849397
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 46071992) is N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is VYAICFINZAEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-20-8-6-11-22(16-20)26-15-14-23(28(32)29-24-12-7-13-25(18-24)33-2)19-30(26)27(31)17-21-9-4-3-5-10-21/h3-13,16,18,23,26H,14-15,17,19H2,1-2H3,(H,29,32).
What are the key properties of N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46071992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).