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

C23H28N2O4 — CID 41499383

IUPACN-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-16-28-20-8-10-21(11-9-20)29-17-22(26)25-14-12-18(13-15-25)23(27)24-19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,24,27)
InChIKeyLCCZTORPHLZTHJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.73
Rot. Bonds8

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

N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 41499383) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID41499383
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-16-28-20-8-10-21(11-9-20)29-17-22(26)25-14-12-18(13-15-25)23(27)24-19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,24,27)
InChIKeyLCCZTORPHLZTHJ-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-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
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-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide (CID 41499383) is N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide is CCCOc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is LCCZTORPHLZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-16-28-20-8-10-21(11-9-20)29-17-22(26)25-14-12-18(13-15-25)23(27)24-19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide?
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]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-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 41499383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).