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

C19H28N4O3 — CID 119952905

IUPAC3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c20-17(16-4-2-1-3-5-16)14-18(24)22-6-8-23(9-7-22)19(25)15-21-10-12-26-13-11-21/h1-5,17H,6-15,20H2
InChIKeyOXUDZCQWIHTJTB-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.08
Rot. Bonds5

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

3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119952905) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119952905
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c20-17(16-4-2-1-3-5-16)14-18(24)22-6-8-23(9-7-22)19(25)15-21-10-12-26-13-11-21/h1-5,17H,6-15,20H2
InChIKeyOXUDZCQWIHTJTB-UHFFFAOYSA-N
XLogP0.08
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119952905) is 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one is NC(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OXUDZCQWIHTJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c20-17(16-4-2-1-3-5-16)14-18(24)22-6-8-23(9-7-22)19(25)15-21-10-12-26-13-11-21/h1-5,17H,6-15,20H2.
What are the key properties of 3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 360.46 g/mol, XLogP of 0.08, 5 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]-3-phenylpropan-1-one is sourced from PubChem (CID 119952905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).