N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H28N2O4 — CID 55854197

IUPACN-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-21-10-8-19(9-11-21)24-23(27)18-12-15-25(16-13-18)22(26)14-17-29-20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27)
InChIKeyRXIQDKRTRGKMHA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.73
Rot. Bonds8

About N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55854197) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55854197
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-21-10-8-19(9-11-21)24-23(27)18-12-15-25(16-13-18)22(26)14-17-29-20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27)
InChIKeyRXIQDKRTRGKMHA-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55854197) is N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is RXIQDKRTRGKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-28-21-10-8-19(9-11-21)24-23(27)18-12-15-25(16-13-18)22(26)14-17-29-20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55854197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).