N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C25H27N3O4S — CID 55805253

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C25H27N3O4S/c1-2-31-20-6-3-4-7-21(20)32-23-10-9-18(16-26-23)17-27-24(29)19-11-13-28(14-12-19)25(30)22-8-5-15-33-22/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,27,29)
InChIKeyKJUQWWDHFIOJLR-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.50
Rot. Bonds8

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55805253) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID55805253
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C25H27N3O4S/c1-2-31-20-6-3-4-7-21(20)32-23-10-9-18(16-26-23)17-27-24(29)19-11-13-28(14-12-19)25(30)22-8-5-15-33-22/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,27,29)
InChIKeyKJUQWWDHFIOJLR-UHFFFAOYSA-N
XLogP4.50
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306117
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42101147
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17453330
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 55929808
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 55929397

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 55805253) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCOc1ccccc1Oc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KJUQWWDHFIOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-2-31-20-6-3-4-7-21(20)32-23-10-9-18(16-26-23)17-27-24(29)19-11-13-28(14-12-19)25(30)22-8-5-15-33-22/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,27,29).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55805253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).