3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

C13H24N4O3 — CID 119840080

IUPAC3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c14-2-1-12(18)16-3-5-17(6-4-16)13(19)11-15-7-9-20-10-8-15/h1-11,14H2
InChIKeyQTZUKUWFNHEZHI-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.66
Rot. Bonds4

About 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 119840080) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID119840080
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c14-2-1-12(18)16-3-5-17(6-4-16)13(19)11-15-7-9-20-10-8-15/h1-11,14H2
InChIKeyQTZUKUWFNHEZHI-UHFFFAOYSA-N
XLogP-1.66
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
1-(4-chlorophenyl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55496271
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
4-(3-aminopropanoyl)piperazine-1-carboxamide
CID 2756537
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (CID 119840080) is 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is QTZUKUWFNHEZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c14-2-1-12(18)16-3-5-17(6-4-16)13(19)11-15-7-9-20-10-8-15/h1-11,14H2.
What are the key properties of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 284.36 g/mol, XLogP of -1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119840080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).