N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

C25H32N2O3 — CID 108553098

IUPACN-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-6-20-9-12-23(13-10-20)30-19-24(28)26-22-15-17-27(18-16-22)25(29)14-11-21-7-4-3-5-8-21/h3-5,7-10,12-13,22H,2,6,11,14-19H2,1H3,(H,26,28)
InChIKeyFPSPIQBELFCZBH-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.76
Rot. Bonds9

About N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (PubChem CID 108553098) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
PubChem CID108553098
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-6-20-9-12-23(13-10-20)30-19-24(28)26-22-15-17-27(18-16-22)25(29)14-11-21-7-4-3-5-8-21/h3-5,7-10,12-13,22H,2,6,11,14-19H2,1H3,(H,26,28)
InChIKeyFPSPIQBELFCZBH-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
tert-butyl N-[3-oxo-3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidin-1-yl]propyl]carbamate
CID 108919631
N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692445
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (CID 108553098) is N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The InChIKey is FPSPIQBELFCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-6-20-9-12-23(13-10-20)30-19-24(28)26-22-15-17-27(18-16-22)25(29)14-11-21-7-4-3-5-8-21/h3-5,7-10,12-13,22H,2,6,11,14-19H2,1H3,(H,26,28).
What are the key properties of N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 108553098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).