4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile

C12H19N3O2 — CID 79674503

IUPAC4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CC2CCNCC2)CCO1
InChIInChI=1S/C12H19N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h10-11,14H,1-7,9H2
InChIKeyBWVFZLAHTWCIJZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.13
Rot. Bonds2

About 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile

4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile (PubChem CID 79674503) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
PubChem CID79674503
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CC2CCNCC2)CCO1
InChIInChI=1S/C12H19N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h10-11,14H,1-7,9H2
InChIKeyBWVFZLAHTWCIJZ-UHFFFAOYSA-N
XLogP0.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(thian-4-yl)acetyl]morpholine-2-carbonitrile
CID 80709671
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyrrolidin-3-ylethanone
CID 81203465
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
CID 79674039
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile (CID 79674503) is 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)CC2CCNCC2)CCO1.
What is the InChIKey of 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile?
The InChIKey is BWVFZLAHTWCIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-11-9-15(5-6-17-11)12(16)7-10-1-3-14-4-2-10/h10-11,14H,1-7,9H2.
What are the key properties of 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile?
4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile has a molecular weight of 237.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).