2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H30N4O3S — CID 175642147

IUPAC2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC2(CCN(CCN3CCOCC3)C2=O)C1)NCc1cccs1
InChIInChI=1S/C20H30N4O3S/c25-18(21-14-17-2-1-13-28-17)15-23-5-3-20(16-23)4-6-24(19(20)26)8-7-22-9-11-27-12-10-22/h1-2,13H,3-12,14-16H2,(H,21,25)
InChIKeyLPKLPYXZJPQGGP-UHFFFAOYSA-N
MW406.55 g/mol
LogP0.62
Rot. Bonds7

About 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 175642147) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID175642147
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC2(CCN(CCN3CCOCC3)C2=O)C1)NCc1cccs1
InChIInChI=1S/C20H30N4O3S/c25-18(21-14-17-2-1-13-28-17)15-23-5-3-20(16-23)4-6-24(19(20)26)8-7-22-9-11-27-12-10-22/h1-2,13H,3-12,14-16H2,(H,21,25)
InChIKeyLPKLPYXZJPQGGP-UHFFFAOYSA-N
XLogP0.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16667942
2-[(2S)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124843863
N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97117367
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 135105236
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 175642147) is 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC2(CCN(CCN3CCOCC3)C2=O)C1)NCc1cccs1.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LPKLPYXZJPQGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c25-18(21-14-17-2-1-13-28-17)15-23-5-3-20(16-23)4-6-24(19(20)26)8-7-22-9-11-27-12-10-22/h1-2,13H,3-12,14-16H2,(H,21,25).
What are the key properties of 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 175642147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).