N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C25H26N2O4S — CID 46557429

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-2-30-20-11-13-22(14-12-20)31-21-9-7-19(8-10-21)26-24(28)18-5-3-15-27(17-18)25(29)23-6-4-16-32-23/h4,6-14,16,18H,2-3,5,15,17H2,1H3,(H,26,28)
InChIKeyYGFNNCXEJCQDEU-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.43
Rot. Bonds7

About N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46557429) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID46557429
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-2-30-20-11-13-22(14-12-20)31-21-9-7-19(8-10-21)26-24(28)18-5-3-15-27(17-18)25(29)23-6-4-16-32-23/h4,6-14,16,18H,2-3,5,15,17H2,1H3,(H,26,28)
InChIKeyYGFNNCXEJCQDEU-UHFFFAOYSA-N
XLogP5.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 46557429) is N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is YGFNNCXEJCQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-2-30-20-11-13-22(14-12-20)31-21-9-7-19(8-10-21)26-24(28)18-5-3-15-27(17-18)25(29)23-6-4-16-32-23/h4,6-14,16,18H,2-3,5,15,17H2,1H3,(H,26,28).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46557429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).