N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide

C18H23N3O2S2 — CID 47548206

IUPACN-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cccs2)CC1)NCCc1cccs1
InChIInChI=1S/C18H23N3O2S2/c22-17(19-8-5-15-3-1-11-24-15)13-21-9-6-14(7-10-21)20-18(23)16-4-2-12-25-16/h1-4,11-12,14H,5-10,13H2,(H,19,22)(H,20,23)
InChIKeyWHVIJXLUMXYIGH-UHFFFAOYSA-N
MW377.54 g/mol
LogP2.36
Rot. Bonds7

About N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47548206) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47548206
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cccs2)CC1)NCCc1cccs1
InChIInChI=1S/C18H23N3O2S2/c22-17(19-8-5-15-3-1-11-24-15)13-21-9-6-14(7-10-21)20-18(23)16-4-2-12-25-16/h1-4,11-12,14H,5-10,13H2,(H,19,22)(H,20,23)
InChIKeyWHVIJXLUMXYIGH-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39145647
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide (CID 47548206) is N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(CN1CCC(NC(=O)c2cccs2)CC1)NCCc1cccs1.
What is the InChIKey of N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is WHVIJXLUMXYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c22-17(19-8-5-15-3-1-11-24-15)13-21-9-6-14(7-10-21)20-18(23)16-4-2-12-25-16/h1-4,11-12,14H,5-10,13H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 377.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).