2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C19H29N5O4S — CID 30415975

IUPAC2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C19H29N5O4S/c25-17(21-19(27)20-4-3-16-2-1-13-29-16)14-22-5-7-24(8-6-22)18(26)15-23-9-11-28-12-10-23/h1-2,13H,3-12,14-15H2,(H2,20,21,25,27)
InChIKeyCQXQWOKFJTXCBG-UHFFFAOYSA-N
MW423.54 g/mol
LogP-0.41
Rot. Bonds7

About 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 30415975) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID30415975
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C19H29N5O4S/c25-17(21-19(27)20-4-3-16-2-1-13-29-16)14-22-5-7-24(8-6-22)18(26)15-23-9-11-28-12-10-23/h1-2,13H,3-12,14-15H2,(H2,20,21,25,27)
InChIKeyCQXQWOKFJTXCBG-UHFFFAOYSA-N
XLogP-0.41
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 39722478
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55412983
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367602
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 30415975) is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is CQXQWOKFJTXCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c25-17(21-19(27)20-4-3-16-2-1-13-29-16)14-22-5-7-24(8-6-22)18(26)15-23-9-11-28-12-10-23/h1-2,13H,3-12,14-15H2,(H2,20,21,25,27).
What are the key properties of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 30415975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).