N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide

C21H26N2O3S — CID 108555909

IUPACN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-4-16-6-8-18(9-7-16)26-15-20(24)23-12-10-17(11-13-23)22-21(25)19-5-3-14-27-19/h3,5-9,14,17H,2,4,10-13,15H2,1H3,(H,22,25)
InChIKeyJRGINNPYSMZNSI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.50
Rot. Bonds7

About N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 108555909) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID108555909
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-4-16-6-8-18(9-7-16)26-15-20(24)23-12-10-17(11-13-23)22-21(25)19-5-3-14-27-19/h3,5-9,14,17H,2,4,10-13,15H2,1H3,(H,22,25)
InChIKeyJRGINNPYSMZNSI-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
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
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide (CID 108555909) is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is JRGINNPYSMZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-4-16-6-8-18(9-7-16)26-15-20(24)23-12-10-17(11-13-23)22-21(25)19-5-3-14-27-19/h3,5-9,14,17H,2,4,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 108555909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).