2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile

C11H18N4O2 — CID 112723430

IUPAC2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H18N4O2/c12-1-2-13-3-5-14(6-4-13)11(16)15-7-9-17-10-8-15/h2-10H2
InChIKeyRVGYHDVOEXBXQA-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.42
Rot. Bonds1

About 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile

2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 112723430) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID112723430
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H18N4O2/c12-1-2-13-3-5-14(6-4-13)11(16)15-7-9-17-10-8-15/h2-10H2
InChIKeyRVGYHDVOEXBXQA-UHFFFAOYSA-N
XLogP-0.42
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylacetonitrile;propanoic acid
CID 173114217
2-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetonitrile
CID 128987106
N-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 41325287
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetonitrile
CID 62648220
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]acetonitrile
CID 63337216
propan-2-yl 4-(cyanomethyl)piperazine-1-carboxylate
CID 63336764
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile (CID 112723430) is 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile is N#CCN1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is RVGYHDVOEXBXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-1-2-13-3-5-14(6-4-13)11(16)15-7-9-17-10-8-15/h2-10H2.
What are the key properties of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 112723430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).