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

C23H27N3O4 — CID 55854580

IUPACN-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-17(27)24-19-7-9-20(10-8-19)25-23(29)18-11-14-26(15-12-18)22(28)13-16-30-21-5-3-2-4-6-21/h2-10,18H,11-16H2,1H3,(H,24,27)(H,25,29)
InChIKeyJPTZENVRAMPNTA-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.29
Rot. Bonds7

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

N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55854580) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55854580
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-17(27)24-19-7-9-20(10-8-19)25-23(29)18-11-14-26(15-12-18)22(28)13-16-30-21-5-3-2-4-6-21/h2-10,18H,11-16H2,1H3,(H,24,27)(H,25,29)
InChIKeyJPTZENVRAMPNTA-UHFFFAOYSA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55857604
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-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55854580) is N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is JPTZENVRAMPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17(27)24-19-7-9-20(10-8-19)25-23(29)18-11-14-26(15-12-18)22(28)13-16-30-21-5-3-2-4-6-21/h2-10,18H,11-16H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55854580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).