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

C19H28N4O3 — CID 120594799

IUPAC2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-19(20,16-5-3-2-4-6-16)18(25)23-9-7-21(8-10-23)15-17(24)22-11-13-26-14-12-22/h2-6H,7-15,20H2,1H3
InChIKeyZUQDOIUBRWVCSH-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.14
Rot. Bonds4

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

2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 120594799) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID120594799
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-19(20,16-5-3-2-4-6-16)18(25)23-9-7-21(8-10-23)15-17(24)22-11-13-26-14-12-22/h2-6H,7-15,20H2,1H3
InChIKeyZUQDOIUBRWVCSH-UHFFFAOYSA-N
XLogP-0.14
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120594763
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
CID 126609472
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 120594799) is 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one is CC(N)(C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is ZUQDOIUBRWVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-19(20,16-5-3-2-4-6-16)18(25)23-9-7-21(8-10-23)15-17(24)22-11-13-26-14-12-22/h2-6H,7-15,20H2,1H3.
What are the key properties of 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 360.46 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120594799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).