N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide

C23H26N2O4 — CID 2680066

IUPACN-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)17-10-12-18(13-11-17)29-16-22(27)24-20-9-5-4-8-19(20)23(28)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27)
InChIKeyCHDXBEITRRAIFT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide

N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 2680066) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID2680066
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)17-10-12-18(13-11-17)29-16-22(27)24-20-9-5-4-8-19(20)23(28)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27)
InChIKeyCHDXBEITRRAIFT-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide (CID 2680066) is N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is CHDXBEITRRAIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-21(26)17-10-12-18(13-11-17)29-16-22(27)24-20-9-5-4-8-19(20)23(28)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide?
N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2680066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).