1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

C17H27N4O3S+ — CID 9443157

IUPAC1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H26N4O3S/c1-2-21(11-15(22)19-10-14-4-3-9-25-14)16(23)12-20-7-5-13(6-8-20)17(18)24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H2,18,24)(H,19,22)/p+1
InChIKeyNGNILCGINWUXDK-UHFFFAOYSA-O
MW367.50 g/mol
LogP-1.01
Rot. Bonds8

About 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 9443157) has the molecular formula C17H27N4O3S+ and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID9443157
Molecular FormulaC17H27N4O3S+
Molecular Weight367.50 g/mol
Exact Mass367.18
IUPAC Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H26N4O3S/c1-2-21(11-15(22)19-10-14-4-3-9-25-14)16(23)12-20-7-5-13(6-8-20)17(18)24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H2,18,24)(H,19,22)/p+1
InChIKeyNGNILCGINWUXDK-UHFFFAOYSA-O
XLogP-1.01
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
CID 8557188
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909479
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9H-xanthene-9-carboxamide
CID 4783938
2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 24613622
2-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
4-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 8960886
N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8888780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 9443157) is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is NGNILCGINWUXDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N4O3S/c1-2-21(11-15(22)19-10-14-4-3-9-25-14)16(23)12-20-7-5-13(6-8-20)17(18)24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H2,18,24)(H,19,22)/p+1.
What are the key properties of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of -1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9443157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).