1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C28H30N2O3 — CID 38646196

IUPAC1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-33-26-15-9-8-14-25(26)29-28(32)23-16-18-30(19-17-23)27(31)20-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23-24H,16-20H2,1H3,(H,29,32)
InChIKeyMRWCUUDGMPDCFI-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.09
Rot. Bonds7

About 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 38646196) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID38646196
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-33-26-15-9-8-14-25(26)29-28(32)23-16-18-30(19-17-23)27(31)20-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23-24H,16-20H2,1H3,(H,29,32)
InChIKeyMRWCUUDGMPDCFI-UHFFFAOYSA-N
XLogP5.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 38646196) is 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is MRWCUUDGMPDCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-26-15-9-8-14-25(26)29-28(32)23-16-18-30(19-17-23)27(31)20-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23-24H,16-20H2,1H3,(H,29,32).
What are the key properties of 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38646196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).