1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile

C12H20N4O2 — CID 79085884

IUPAC1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
SMILESCC(C(=O)N1CCOCC1)N1CCNCC1C#N
InChIInChI=1S/C12H20N4O2/c1-10(12(17)15-4-6-18-7-5-15)16-3-2-14-9-11(16)8-13/h10-11,14H,2-7,9H2,1H3
InChIKeyXHRHXXHEZCGLLS-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.97
Rot. Bonds2

About 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile

1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile (PubChem CID 79085884) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
PubChem CID79085884
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
SMILESCC(C(=O)N1CCOCC1)N1CCNCC1C#N
InChIInChI=1S/C12H20N4O2/c1-10(12(17)15-4-6-18-7-5-15)16-3-2-14-9-11(16)8-13/h10-11,14H,2-7,9H2,1H3
InChIKeyXHRHXXHEZCGLLS-UHFFFAOYSA-N
XLogP-0.97
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
N-butyl-2-(2-cyanopiperazin-1-yl)propanamide
CID 79086227
1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile
CID 130503344
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63874452
2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
CID 66289069
4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 83096216
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
CID 112690185
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile?
The IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile (CID 79085884) is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile is CC(C(=O)N1CCOCC1)N1CCNCC1C#N.
What is the InChIKey of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile?
The InChIKey is XHRHXXHEZCGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(12(17)15-4-6-18-7-5-15)16-3-2-14-9-11(16)8-13/h10-11,14H,2-7,9H2,1H3.
What are the key properties of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile?
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).