N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide

C23H26N2O4 — CID 51214187

IUPACN-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)17-8-10-20(11-9-17)29-16-22(27)25-14-12-18(13-15-25)23(28)24-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,28)
InChIKeyHSGZLJDTPZWMKA-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.54
Rot. Bonds7

About N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide

N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 51214187) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID51214187
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)17-8-10-20(11-9-17)29-16-22(27)25-14-12-18(13-15-25)23(28)24-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,28)
InChIKeyHSGZLJDTPZWMKA-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide (CID 51214187) is N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide is CCC(=O)c1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is HSGZLJDTPZWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-21(26)17-8-10-20(11-9-17)29-16-22(27)25-14-12-18(13-15-25)23(28)24-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,28).
What are the key properties of N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide?
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 51214187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).