(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile

C17H24N4O2S — CID 124845882

IUPAC(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
SMILESC[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-14-13-23-9-8-21(14)12-17(22)20-6-4-19(5-7-20)15(11-18)16-3-2-10-24-16/h2-3,10,14-15H,4-9,12-13H2,1H3/t14-,15-/m1/s1
InChIKeyWVKRMJBQHXWZEV-HUUCEWRRSA-N
MW348.47 g/mol
LogP1.18
Rot. Bonds4

About (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile

(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile (PubChem CID 124845882) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
PubChem CID124845882
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
SMILESC[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-14-13-23-9-8-21(14)12-17(22)20-6-4-19(5-7-20)15(11-18)16-3-2-10-24-16/h2-3,10,14-15H,4-9,12-13H2,1H3/t14-,15-/m1/s1
InChIKeyWVKRMJBQHXWZEV-HUUCEWRRSA-N
XLogP1.18
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile with MolForge

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Related Compounds

2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
2-[4-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 75444793
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
(2S)-2-[4-[2-(2-ethylimidazol-1-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 99700858
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349425
2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349439
3-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 51083633
2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349415
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 55100670
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571429
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile?
The IUPAC name of (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile (CID 124845882) is (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile?
The canonical SMILES for (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile is C[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1.
What is the InChIKey of (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile?
The InChIKey is WVKRMJBQHXWZEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-13-23-9-8-21(14)12-17(22)20-6-4-19(5-7-20)15(11-18)16-3-2-10-24-16/h2-3,10,14-15H,4-9,12-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile?
(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile has a molecular weight of 348.47 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 124845882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).