N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

C22H30N2O2S — CID 71462066

IUPACN-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O2S/c1-17(2)19-6-3-4-7-20(19)26-14-13-24-11-9-18(10-12-24)16-23-22(25)21-8-5-15-27-21/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyODATXBLBRWUYKO-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.39
Rot. Bonds8

About N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 71462066) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID71462066
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O2S/c1-17(2)19-6-3-4-7-20(19)26-14-13-24-11-9-18(10-12-24)16-23-22(25)21-8-5-15-27-21/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyODATXBLBRWUYKO-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131893384
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51092774
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 3528114
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 71462066) is N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is CC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ODATXBLBRWUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17(2)19-6-3-4-7-20(19)26-14-13-24-11-9-18(10-12-24)16-23-22(25)21-8-5-15-27-21/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71462066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).