1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide

C14H22N3O2S+ — CID 8557188

IUPAC1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c15-14(19)11-4-7-17(8-5-11)10-13(18)16-6-3-12-2-1-9-20-12/h1-2,9,11H,3-8,10H2,(H2,15,19)(H,16,18)/p+1
InChIKeyCRXAMRZTTMTIMP-UHFFFAOYSA-O
MW296.42 g/mol
LogP-0.81
Rot. Bonds6

About 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide

1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8557188) has the molecular formula C14H22N3O2S+ and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
PubChem CID8557188
Molecular FormulaC14H22N3O2S+
Molecular Weight296.42 g/mol
Exact Mass296.14
IUPAC Name1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c15-14(19)11-4-7-17(8-5-11)10-13(18)16-6-3-12-2-1-9-20-12/h1-2,9,11H,3-8,10H2,(H2,15,19)(H,16,18)/p+1
InChIKeyCRXAMRZTTMTIMP-UHFFFAOYSA-O
XLogP-0.81
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028497
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028215
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9027655
2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9035713
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9044697
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 9443157
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
CID 8557506
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9127256
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide (CID 8557188) is 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](CC(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is CRXAMRZTTMTIMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2S/c15-14(19)11-4-7-17(8-5-11)10-13(18)16-6-3-12-2-1-9-20-12/h1-2,9,11H,3-8,10H2,(H2,15,19)(H,16,18)/p+1.
What are the key properties of 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide?
1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8557188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).