4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide

C12H22N4O3 — CID 83096216

IUPAC4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
SMILESCC(C(=O)N1CCNCC1)N1CCOCC1C(N)=O
InChIInChI=1S/C12H22N4O3/c1-9(12(18)15-4-2-14-3-5-15)16-6-7-19-8-10(16)11(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyXFNKRGWFECNKAM-UHFFFAOYSA-N
MW270.33 g/mol
LogP-2.01
Rot. Bonds3

About 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide

4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide (PubChem CID 83096216) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
PubChem CID83096216
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
SMILESCC(C(=O)N1CCNCC1)N1CCOCC1C(N)=O
InChIInChI=1S/C12H22N4O3/c1-9(12(18)15-4-2-14-3-5-15)16-6-7-19-8-10(16)11(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyXFNKRGWFECNKAM-UHFFFAOYSA-N
XLogP-2.01
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(4-oxopentan-2-yl)morpholine-3-carboxamide
CID 83096571
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)morpholine-3-carboxamide
CID 83095756
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
CID 104775016
4-(5-hydrazinyl-5-oxopentan-2-yl)morpholine-3-carboxamide
CID 83095939
2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
CID 79085884
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
CID 83101200

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide (CID 83096216) is 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide is CC(C(=O)N1CCNCC1)N1CCOCC1C(N)=O.
What is the InChIKey of 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide?
The InChIKey is XFNKRGWFECNKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9(12(18)15-4-2-14-3-5-15)16-6-7-19-8-10(16)11(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17).
What are the key properties of 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide?
4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83096216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).