1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one

C15H28N4O3 — CID 109016693

IUPAC1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNCCN2CCOCC2)CC1
InChIInChI=1S/C15H28N4O3/c1-14(20)18-6-8-19(9-7-18)15(21)2-3-16-4-5-17-10-12-22-13-11-17/h16H,2-13H2,1H3
InChIKeyAAGGCIAUEBTONB-UHFFFAOYSA-N
MW312.41 g/mol
LogP-1.01
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one (PubChem CID 109016693) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
PubChem CID109016693
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNCCN2CCOCC2)CC1
InChIInChI=1S/C15H28N4O3/c1-14(20)18-6-8-19(9-7-18)15(21)2-3-16-4-5-17-10-12-22-13-11-17/h16H,2-13H2,1H3
InChIKeyAAGGCIAUEBTONB-UHFFFAOYSA-N
XLogP-1.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016734
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943967
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one (CID 109016693) is 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one is CC(=O)N1CCN(C(=O)CCNCCN2CCOCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one?
The InChIKey is AAGGCIAUEBTONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-14(20)18-6-8-19(9-7-18)15(21)2-3-16-4-5-17-10-12-22-13-11-17/h16H,2-13H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one has a molecular weight of 312.41 g/mol, XLogP of -1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one is sourced from PubChem (CID 109016693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).